CID 8289

Triphenyl phosphate

Structural Information

Molecular Formula
C18H15O4P
SMILES
C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
InChIKey
XZZNDPSIHUTMOC-UHFFFAOYSA-N
Compound name
triphenyl phosphate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

441
References

109740
Patents

326.0708 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07808 175.2
[M+Na]+ 349.06002 180.7
[M-H]- 325.06352 183.2
[M+NH4]+ 344.10462 188.2
[M+K]+ 365.03396 177.6
[M+H-H2O]+ 309.06806 163.3
[M+HCOO]- 371.06900 203.5
[M+CH3COO]- 385.08465 204.9
[M+Na-2H]- 347.04547 179.9
[M]+ 326.07025 177.8
[M]- 326.07135 177.8
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