CID 579502

3,3'-difluorobenzophenone

Structural Information

Molecular Formula
C13H8F2O
SMILES
C1=CC(=CC(=C1)F)C(=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C13H8F2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H
InChIKey
UBJLBNGSWJBOGI-UHFFFAOYSA-N
Compound name
bis(3-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

444
Patents

218.05432 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06160 142.6
[M+Na]+ 241.04354 151.7
[M-H]- 217.04704 147.2
[M+NH4]+ 236.08814 160.9
[M+K]+ 257.01748 147.5
[M+H-H2O]+ 201.05158 134.0
[M+HCOO]- 263.05252 164.6
[M+CH3COO]- 277.06817 188.8
[M+Na-2H]- 239.02899 147.4
[M]+ 218.05377 140.0
[M]- 218.05487 140.0
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