CID 158333

Tert-butylphenyl diphenyl phosphate

Structural Information

Molecular Formula
C22H23O4P
SMILES
CC(C)(C)C1=CC=CC=C1OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C22H23O4P/c1-22(2,3)20-16-10-11-17-21(20)26-27(23,24-18-12-6-4-7-13-18)25-19-14-8-5-9-15-19/h4-17H,1-3H3
InChIKey
VDIFKDMFGPIVCQ-UHFFFAOYSA-N
Compound name
(2-tert-butylphenyl) diphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

14
References

1817
Patents

382.1334 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14068 194.4
[M+Na]+ 405.12262 199.4
[M-H]- 381.12612 202.3
[M+NH4]+ 400.16722 205.5
[M+K]+ 421.09656 196.3
[M+H-H2O]+ 365.13066 182.3
[M+HCOO]- 427.13160 219.6
[M+CH3COO]- 441.14725 217.6
[M+Na-2H]- 403.10807 197.5
[M]+ 382.13285 198.1
[M]- 382.13395 198.1
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.