CID 175685565

2-(tert-butyl)phenyl (2,4-di-tert-butylphenyl) hydrogen phosphate

Structural Information

Molecular Formula
C24H35O4P
SMILES
CC(C)(C)C1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C24H35O4P/c1-22(2,3)17-14-15-21(19(16-17)24(7,8)9)28-29(25,26)27-20-13-11-10-12-18(20)23(4,5)6/h10-16H,1-9H3,(H,25,26)
InChIKey
OATITKVQORBNMC-UHFFFAOYSA-N
Compound name
(2-tert-butylphenyl) (2,4-ditert-butylphenyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2273 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.23458 206.6
[M+Na]+ 441.21652 211.9
[M-H]- 417.22002 210.9
[M+NH4]+ 436.26112 217.4
[M+K]+ 457.19046 209.8
[M+H-H2O]+ 401.22456 197.4
[M+HCOO]- 463.22550 225.5
[M+CH3COO]- 477.24115 227.3
[M+Na-2H]- 439.20197 208.5
[M]+ 418.22675 212.2
[M]- 418.22785 212.2
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

No patent data available for this compound.