CID 70425

P-tert-butylphenyl diphenyl phosphate

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1506
Patents

382.1334 Da
Monoisotopic Mass

6.3
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

literature stripe

Patent stripe

patents stripe