CID 13813634

(4-chlorophenyl)(4-fluorophenyl)methanone

Structural Information

Molecular Formula
C13H8ClFO
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)F
InChI
InChI=1S/C13H8ClFO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
InChIKey
YGROSAOZMCLHSW-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

668
Patents

234.02477 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.032046 145.5
[M+Na]+ 257.013988 155.4
[M-H]- 233.017494 151.2
[M+NH4]+ 252.058593 164.2
[M+K]+ 272.987928 149.8
[M+H-H2O]+ 217.022030 138.6
[M+HCOO]- 279.022971 164.1
[M+CH3COO]- 293.038621 189.8
[M+Na-2H]- 254.999436 150.5
[M]+ 234.02422142 146.3
[M]- 234.02531858 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