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]+ 272.96508 155.0
[M+Na]+ 294.94702 165.6
[M-H]- 270.95052 160.8
[M+NH4]+ 289.99162 173.5
[M+K]+ 310.92096 159.4
[M+H-H2O]+ 254.95506 149.5
[M+HCOO]- 316.95600 165.7
[M+CH3COO]- 330.97165 167.6
[M+Na-2H]- 292.93247 156.1
[M]+ 271.95725 159.3
[M]- 271.95835 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.