CID 2779349

3-fluorobenzophenone

Structural Information

Molecular Formula
C13H9FO
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C13H9FO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
InChIKey
NCIYZALOQBXNLW-UHFFFAOYSA-N
Compound name
(3-fluorophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

200.06374 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07102 143.1
[M+Na]+ 223.05296 157.9
[M+NH4]+ 218.09756 152.1
[M+K]+ 239.02690 149.8
[M-H]- 199.05646 146.8
[M+Na-2H]- 221.03841 153.1
[M]+ 200.06319 146.3
[M]- 200.06429 146.3
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