CID 599535

2,4-dichloro-n-(1,3-thiazol-2-yl)benzamide

Structural Information

Molecular Formula
C10H6Cl2N2OS
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)NC2=NC=CS2
InChI
InChI=1S/C10H6Cl2N2OS/c11-6-1-2-7(8(12)5-6)9(15)14-10-13-3-4-16-10/h1-5H,(H,13,14,15)
InChIKey
TYJWBXUICUJRNJ-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.9578 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.965076 155.0
[M+Na]+ 294.947018 165.6
[M-H]- 270.950524 160.8
[M+NH4]+ 289.991623 173.5
[M+K]+ 310.920958 159.4
[M+H-H2O]+ 254.955060 149.5
[M+HCOO]- 316.956001 165.7
[M+CH3COO]- 330.971651 167.6
[M+Na-2H]- 292.932466 156.1
[M]+ 271.95725142 159.3
[M]- 271.95834858 159.3
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.