CID 16782414

5-amino-2-chloro-n-[(2-fluorophenyl)methyl]benzamide

Structural Information

Molecular Formula
C14H12ClFN2O
SMILES
C1=CC=C(C(=C1)CNC(=O)C2=C(C=CC(=C2)N)Cl)F
InChI
InChI=1S/C14H12ClFN2O/c15-12-6-5-10(17)7-11(12)14(19)18-8-9-3-1-2-4-13(9)16/h1-7H,8,17H2,(H,18,19)
InChIKey
UEJWHFMOQQDNFG-UHFFFAOYSA-N
Compound name
5-amino-2-chloro-N-[(2-fluorophenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.06223 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.06951 160.6
[M+Na]+ 301.05145 169.3
[M-H]- 277.05495 165.9
[M+NH4]+ 296.09605 176.9
[M+K]+ 317.02539 163.1
[M+H-H2O]+ 261.05949 153.0
[M+HCOO]- 323.06043 180.3
[M+CH3COO]- 337.07608 202.5
[M+Na-2H]- 299.03690 163.8
[M]+ 278.06168 159.8
[M]- 278.06278 159.8
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

No patent data available for this compound.