CID 738526

3-chloro-n-(1,3-thiazol-2-yl)benzamide

Structural Information

Molecular Formula
C10H7ClN2OS
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NC2=NC=CS2
InChI
InChI=1S/C10H7ClN2OS/c11-8-3-1-2-7(6-8)9(14)13-10-12-4-5-15-10/h1-6H,(H,12,13,14)
InChIKey
NOMZNVWAQDPGIC-UHFFFAOYSA-N
Compound name
3-chloro-N-(1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

237.99677 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00405 148.6
[M+Na]+ 260.98599 158.3
[M-H]- 236.98949 154.8
[M+NH4]+ 256.03059 167.9
[M+K]+ 276.95993 153.2
[M+H-H2O]+ 220.99403 142.3
[M+HCOO]- 282.99497 164.5
[M+CH3COO]- 297.01062 161.8
[M+Na-2H]- 258.97144 151.2
[M]+ 237.99622 151.6
[M]- 237.99732 151.6
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

No patent data available for this compound.