CID 14100428

2-amino-3-chlorobenzamide

Structural Information

Molecular Formula
C7H7ClN2O
SMILES
C1=CC(=C(C(=C1)Cl)N)C(=O)N
InChI
InChI=1S/C7H7ClN2O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKey
BINWIYVHWRWUSD-UHFFFAOYSA-N
Compound name
2-amino-3-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

170.02469 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.031966 132.7
[M+Na]+ 193.013908 141.9
[M-H]- 169.017414 136.0
[M+NH4]+ 188.058513 153.2
[M+K]+ 208.987848 138.0
[M+H-H2O]+ 153.021950 128.1
[M+HCOO]- 215.022891 153.6
[M+CH3COO]- 229.038541 181.9
[M+Na-2H]- 190.999356 137.1
[M]+ 170.02414142 131.2
[M]- 170.02523858 131.2
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