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
4
Annotation Hits

14
References

1741
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 191.4
[M+Na]+ 405.12262 205.6
[M+NH4]+ 400.16722 198.4
[M+K]+ 421.09656 198.3
[M-H]- 381.12612 196.4
[M+Na-2H]- 403.10807 202.1
[M]+ 382.13285 195.1
[M]- 382.13395 195.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe