CID 4652311

Pentafluorophenyl diphenylphosphinate

Structural Information

Molecular Formula
C18H10F5O2P
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)OC3=C(C(=C(C(=C3F)F)F)F)F
InChI
InChI=1S/C18H10F5O2P/c19-13-14(20)16(22)18(17(23)15(13)21)25-26(24,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey
OOWSDKUFKGVADH-UHFFFAOYSA-N
Compound name
1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1463
Patents

384.03384 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.04112 185.6
[M+Na]+ 407.02306 196.3
[M-H]- 383.02656 188.5
[M+NH4]+ 402.06766 197.6
[M+K]+ 422.99700 189.7
[M+H-H2O]+ 367.03110 169.8
[M+HCOO]- 429.03204 207.9
[M+CH3COO]- 443.04769 220.0
[M+Na-2H]- 405.00851 183.3
[M]+ 384.03329 182.1
[M]- 384.03439 182.1
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