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
2
Annotation Hits

0
References

1238
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 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

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