CID 11119642

5-amino-2-chlorobenzamide

Structural Information

Molecular Formula
C7H7ClN2O
SMILES
C1=CC(=C(C=C1N)C(=O)N)Cl
InChI
InChI=1S/C7H7ClN2O/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKey
KBIUWISITKJWTA-UHFFFAOYSA-N
Compound name
5-amino-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

170.02469 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03197 132.7
[M+Na]+ 193.01391 141.9
[M-H]- 169.01741 136.0
[M+NH4]+ 188.05851 153.2
[M+K]+ 208.98785 138.0
[M+H-H2O]+ 153.02195 128.1
[M+HCOO]- 215.02289 153.6
[M+CH3COO]- 229.03854 181.9
[M+Na-2H]- 190.99936 137.1
[M]+ 170.02414 131.2
[M]- 170.02524 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