CID 2735887

(2-amino-4-chlorophenyl)(2-fluorophenyl)methanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

249.03568 Da
Monoisotopic Mass

3.9
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

literature stripe

Patent stripe

patents stripe