CID 22399492

5-chloro-2-(4-fluorobenzoyl)aniline

Structural Information

Molecular Formula
C13H9ClFNO
SMILES
C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)Cl)N)F
InChI
InChI=1S/C13H9ClFNO/c14-9-3-6-11(12(16)7-9)13(17)8-1-4-10(15)5-2-8/h1-7H,16H2
InChIKey
ODMBUEHQKWFMSS-UHFFFAOYSA-N
Compound name
(2-amino-4-chlorophenyl)-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

249.03568 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.04296 151.0
[M+Na]+ 272.02490 161.0
[M-H]- 248.02840 156.6
[M+NH4]+ 267.06950 168.8
[M+K]+ 287.99884 155.0
[M+H-H2O]+ 232.03294 144.1
[M+HCOO]- 294.03388 170.0
[M+CH3COO]- 308.04953 195.2
[M+Na-2H]- 270.01035 154.5
[M]+ 249.03513 150.6
[M]- 249.03623 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe