CID 3057506

74039-83-1

Structural Information

Molecular Formula

C₂₁H₂₁O₄P

SMILES

COC1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21O4P/c1-23-16-4-10-19(11-5-16)26(22,20-12-6-17(24-2)7-13-20)21-14-8-18(25-3)9-15-21/h4-15H,1-3H3

InChIKey

KSTMQPBYFFFVFI-UHFFFAOYSA-N

Compound name

1-bis(4-methoxyphenyl)phosphoryl-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 342
Patents: 368.11774 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

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]+	369.12502	188.8
[M+Na]+	391.10696	195.6
[M-H]-	367.11046	197.4
[M+NH4]+	386.15156	201.0
[M+K]+	407.08090	192.3
[M+H-H2O]+	351.11500	176.6
[M+HCOO]-	413.11594	216.1
[M+CH3COO]-	427.13159	217.2
[M+Na-2H]-	389.09241	189.9
[M]+	368.11719	193.7
[M]-	368.11829	193.7

Literature stripe

literature stripe

Patent stripe

patents stripe