CID 6528

Monocresyl diphenyl phosphate

Structural Information

Molecular Formula
C19H17O4P
SMILES
CC1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C19H17O4P/c1-16-12-14-19(15-13-16)23-24(20,21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18/h2-15H,1H3
InChIKey
OJUZRFGUKHQNJX-UHFFFAOYSA-N
Compound name
(4-methylphenyl) diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

11865
Patents

340.08646 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09374 179.8
[M+Na]+ 363.07568 185.8
[M-H]- 339.07918 188.0
[M+NH4]+ 358.12028 192.6
[M+K]+ 379.04962 182.6
[M+H-H2O]+ 323.08372 167.8
[M+HCOO]- 385.08466 207.8
[M+CH3COO]- 399.10031 209.0
[M+Na-2H]- 361.06113 183.3
[M]+ 340.08591 183.2
[M]- 340.08701 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.