PubChemLite - (r)-3,3'-bis(3,5-dichlorophenyl)-1,1'-binapthyl-2,2'-diyl hydrogenphosphate (C32H17Cl4O4P)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)Cl)Cl)OP(=O)(O3)O)C7=CC(=CC(=C7)Cl)Cl

InChI

InChI=1S/C32H17Cl4O4P/c33-21-9-19(10-22(34)15-21)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(20-11-23(35)16-24(36)12-20)32(30)40-41(37,38)39-31(27)29/h1-16H,(H,37,38)

InChIKey

WZHNELWEKJNMMA-UHFFFAOYSA-N

Compound name

10,16-bis(3,5-dichlorophenyl)-13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	636.96913	237.7
[M+Na]+	658.95107	253.6
[M-H]-	634.95457	247.4
[M+NH4]+	653.99567	245.0
[M+K]+	674.92501	253.4
[M+H-H2O]+	618.95911	226.0
[M+HCOO]-	680.96005	238.9
[M+CH3COO]-	694.97570	244.7
[M+Na-2H]-	656.93652	236.5
[M]+	635.96130	244.9
[M]-	635.96240	244.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

636.96913

237.7

[M+Na]+

658.95107

253.6

[M-H]-

634.95457

247.4

[M+NH4]+

653.99567

245.0

[M+K]+

674.92501

253.4

[M+H-H2O]+

618.95911

226.0

[M+HCOO]-

680.96005

238.9

[M+CH3COO]-

694.97570

244.7

[M+Na-2H]-

656.93652

236.5

[M]+

635.96130

244.9

[M]-

635.96240

244.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(r)-3,3'-bis(3,5-dichlorophenyl)-1,1'-binapthyl-2,2'-diyl hydrogenphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe