CID 251865

Nsc72818

Structural Information

Molecular Formula
C29H35O4P
SMILES
CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)(C)C)OC3=CC=CC=C3CC=C
InChI
InChI=1S/C29H35O4P/c1-8-11-22-12-9-10-13-27(22)33-34(30,31-25-18-14-23(15-19-25)28(2,3)4)32-26-20-16-24(17-21-26)29(5,6)7/h8-10,12-21H,1,11H2,2-7H3
InChIKey
VFANEYPTQGUPGO-UHFFFAOYSA-N
Compound name
bis(4-tert-butylphenyl) (2-prop-2-enylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.2273 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.23458 223.7
[M+Na]+ 501.21652 228.0
[M-H]- 477.22002 231.5
[M+NH4]+ 496.26112 231.5
[M+K]+ 517.19046 224.0
[M+H-H2O]+ 461.22456 211.2
[M+HCOO]- 523.22550 245.0
[M+CH3COO]- 537.24115 239.5
[M+Na-2H]- 499.20197 223.6
[M]+ 478.22675 229.4
[M]- 478.22785 229.4
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.