CID 3532979

Bis(4-fluorophenyl)phenylphosphine oxide

Structural Information

Molecular Formula
C18H13F2OP
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H13F2OP/c19-14-6-10-17(11-7-14)22(21,16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
InChIKey
AAYLOGMTTMROGA-UHFFFAOYSA-N
Compound name
1-fluoro-4-[(4-fluorophenyl)-phenylphosphoryl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

314.0672 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07448 172.5
[M+Na]+ 337.05642 180.5
[M-H]- 313.05992 178.4
[M+NH4]+ 332.10102 186.8
[M+K]+ 353.03036 174.4
[M+H-H2O]+ 297.06446 159.6
[M+HCOO]- 359.06540 198.1
[M+CH3COO]- 373.08105 206.2
[M+Na-2H]- 335.04187 174.1
[M]+ 314.06665 169.8
[M]- 314.06775 169.8
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