CID 155309

Phosphoric acid, 3-methylphenyl diphenyl ester

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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

literature stripe

Patent stripe

patents stripe