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 215.6
[M+Na]+ 475.20086 216.9
[M-H]- 451.20436 222.4
[M+NH4]+ 470.24546 223.4
[M+K]+ 491.17480 213.9
[M+H-H2O]+ 435.20890 202.4
[M+HCOO]- 497.20984 237.7
[M+CH3COO]- 511.22549 234.6
[M+Na-2H]- 473.18631 211.6
[M]+ 452.21109 219.9
[M]- 452.21219 219.9
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.