CID 69254

3-chlorobenzamide

Structural Information

Molecular Formula
C7H6ClNO
SMILES
C1=CC(=CC(=C1)Cl)C(=O)N
InChI
InChI=1S/C7H6ClNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey
MJTGQALMWUUPQM-UHFFFAOYSA-N
Compound name
3-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1587
Patents

155.0138 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02108 127.2
[M+Na]+ 178.00302 140.5
[M+NH4]+ 173.04762 136.5
[M+K]+ 193.97696 134.1
[M-H]- 154.00652 129.9
[M+Na-2H]- 175.98847 134.8
[M]+ 155.01325 130.1
[M]- 155.01435 130.1
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