CID 179445

Phosphoric acid, dimethylphenyl diphenyl ester

Structural Information

Molecular Formula
C20H19O4P
SMILES
CC1=C(C(=CC=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C
InChI
InChI=1S/C20H19O4P/c1-16-10-9-15-20(17(16)2)24-25(21,22-18-11-5-3-6-12-18)23-19-13-7-4-8-14-19/h3-15H,1-2H3
InChIKey
FSBFENGFYVITPO-UHFFFAOYSA-N
Compound name
(2,3-dimethylphenyl) diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

364
Patents

354.10208 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.10936 184.4
[M+Na]+ 377.09130 190.7
[M-H]- 353.09480 192.8
[M+NH4]+ 372.13590 196.9
[M+K]+ 393.06524 187.5
[M+H-H2O]+ 337.09934 172.3
[M+HCOO]- 399.10028 212.0
[M+CH3COO]- 413.11593 213.1
[M+Na-2H]- 375.07675 186.7
[M]+ 354.10153 188.5
[M]- 354.10263 188.5
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