CID 3086230

Phosphoric acid, 2,4-dimethylphenyl diphenyl ester

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1491
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

No literature data available for this compound.

Patent stripe

patents stripe