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

194
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.