CID 74547

2-chloro-4'-fluorobenzophenone

Structural Information

Molecular Formula
C13H8ClFO
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)F)Cl
InChI
InChI=1S/C13H8ClFO/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8H
InChIKey
DODIKYQYCCFWRZ-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

195
Patents

234.02477 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03205 145.5
[M+Na]+ 257.01399 155.4
[M-H]- 233.01749 151.2
[M+NH4]+ 252.05859 164.2
[M+K]+ 272.98793 149.8
[M+H-H2O]+ 217.02203 138.6
[M+HCOO]- 279.02297 164.1
[M+CH3COO]- 293.03862 189.8
[M+Na-2H]- 254.99944 150.5
[M]+ 234.02422 146.3
[M]- 234.02532 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