CID 3086231

Phosphoric acid, bis(2,4-dimethylphenyl) phenyl ester

Structural Information

Molecular Formula
C22H23O4P
SMILES
CC1=CC(=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=C(C=C(C=C3)C)C)C
InChI
InChI=1S/C22H23O4P/c1-16-10-12-21(18(3)14-16)25-27(23,24-20-8-6-5-7-9-20)26-22-13-11-17(2)15-19(22)4/h5-15H,1-4H3
InChIKey
LHDWQHHGFDELQM-UHFFFAOYSA-N
Compound name
bis(2,4-dimethylphenyl) phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

382.1334 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.140676 193.1
[M+Na]+ 405.122618 200.3
[M-H]- 381.126124 201.9
[M+NH4]+ 400.167223 205.1
[M+K]+ 421.096558 197.0
[M+H-H2O]+ 365.130660 180.9
[M+HCOO]- 427.131601 220.0
[M+CH3COO]- 441.147251 221.4
[M+Na-2H]- 403.108066 193.1
[M]+ 382.13285142 198.8
[M]- 382.13394858 198.8
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