CID 3086231

86864-88-2

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

51
Patents

382.1334 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14068 193.1
[M+Na]+ 405.12262 200.3
[M-H]- 381.12612 201.9
[M+NH4]+ 400.16722 205.1
[M+K]+ 421.09656 197.0
[M+H-H2O]+ 365.13066 180.9
[M+HCOO]- 427.13160 220.0
[M+CH3COO]- 441.14725 221.4
[M+Na-2H]- 403.10807 193.1
[M]+ 382.13285 198.8
[M]- 382.13395 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