CID 12374837

2-amino-4-chlorobenzamide

Structural Information

Molecular Formula
C7H7ClN2O
SMILES
C1=CC(=C(C=C1Cl)N)C(=O)N
InChI
InChI=1S/C7H7ClN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11)
InChIKey
QNEJYHVIYJFNHC-UHFFFAOYSA-N
Compound name
2-amino-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
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

literature stripe

Patent stripe

patents stripe