CID 13879621

Bis(m-cresyl) o-cresyl phosphate

Structural Information

Molecular Formula

C₂₁H₂₁O₄P

SMILES

CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC=C3C

InChI

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

InChIKey

WTOIDCMGRJJWJY-UHFFFAOYSA-N

Compound name

(2-methylphenyl) bis(3-methylphenyl) phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 368.11774 Da
Monoisotopic Mass: 6.1
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]+	369.125016	188.8
[M+Na]+	391.106958	195.6
[M-H]-	367.110464	197.4
[M+NH4]+	386.151563	201.0
[M+K]+	407.080898	192.3
[M+H-H2O]+	351.115000	176.6
[M+HCOO]-	413.115941	216.1
[M+CH3COO]-	427.131591	217.2
[M+Na-2H]-	389.092406	189.9
[M]+	368.11719142	193.7
[M]-	368.11828858	193.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe