CID 109653

68155-51-1

Structural Information

Molecular Formula
C24H27O4P
SMILES
CC(C)C1=C(C=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C(C)C
InChI
InChI=1S/C24H27O4P/c1-18(2)23-16-15-22(17-24(23)19(3)4)28-29(25,26-20-11-7-5-8-12-20)27-21-13-9-6-10-14-21/h5-19H,1-4H3
InChIKey
CGYONFZXYNCFCN-UHFFFAOYSA-N
Compound name
[3,4-di(propan-2-yl)phenyl] diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

410.1647 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.171976 201.9
[M+Na]+ 433.153918 205.8
[M-H]- 409.157424 209.7
[M+NH4]+ 428.198523 211.9
[M+K]+ 449.127858 202.9
[M+H-H2O]+ 393.161960 189.3
[M+HCOO]- 455.162901 226.1
[M+CH3COO]- 469.178551 226.4
[M+Na-2H]- 431.139366 199.9
[M]+ 410.16415142 206.2
[M]- 410.16524858 206.2
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