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

181
Patents

200.06374 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.071016 140.0
[M+Na]+ 223.052958 148.1
[M-H]- 199.056464 145.6
[M+NH4]+ 218.097563 158.9
[M+K]+ 239.026898 144.4
[M+H-H2O]+ 183.061000 132.3
[M+HCOO]- 245.061941 163.1
[M+CH3COO]- 259.077591 184.9
[M+Na-2H]- 221.038406 146.2
[M]+ 200.06319142 138.1
[M]- 200.06428858 138.1
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