CID 88200

3-amino-4-chlorobenzamide

Structural Information

Molecular Formula
C7H7ClN2O
SMILES
C1=CC(=C(C=C1C(=O)N)N)Cl
InChI
InChI=1S/C7H7ClN2O/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H2,10,11)
InChIKey
QHMDKGRWJVOUFU-UHFFFAOYSA-N
Compound name
3-amino-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

316
Patents

170.02469 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03197 131.5
[M+Na]+ 193.01391 143.5
[M+NH4]+ 188.05851 140.0
[M+K]+ 208.98785 137.9
[M-H]- 169.01741 134.2
[M+Na-2H]- 190.99936 137.9
[M]+ 170.02414 134.0
[M]- 170.02524 134.0
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