CID 38076

Einecs 254-050-5

Structural Information

Molecular Formula
C27H33O4P
SMILES
CC(C)CC(C)CC(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C27H33O4P/c1-21(2)19-22(3)20-23(4)24-15-17-27(18-16-24)31-32(28,29-25-11-7-5-8-12-25)30-26-13-9-6-10-14-26/h5-18,21-23H,19-20H2,1-4H3
InChIKey
AVICGYHKQSYABO-UHFFFAOYSA-N
Compound name
[4-(4,6-dimethylheptan-2-yl)phenyl] diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

452.21164 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.21892 211.6
[M+Na]+ 475.20086 223.9
[M+NH4]+ 470.24546 217.4
[M+K]+ 491.17480 216.8
[M-H]- 451.20436 216.3
[M+Na-2H]- 473.18631 220.0
[M]+ 452.21109 214.7
[M]- 452.21219 214.7
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

No patent data available for this compound.