CID 236564

N-(4-thiazolin-2-ylidene)benzenesulfonamide

Structural Information

Molecular Formula
C9H8N2O2S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2
InChI
InChI=1S/C9H8N2O2S2/c12-15(13,8-4-2-1-3-5-8)11-9-10-6-7-14-9/h1-7H,(H,10,11)
InChIKey
AJWNYPNPXLNRAO-UHFFFAOYSA-N
Compound name
N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

259
Patents

240.00272 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01000 149.8
[M+Na]+ 262.99194 159.4
[M-H]- 238.99544 155.7
[M+NH4]+ 258.03654 168.1
[M+K]+ 278.96588 154.6
[M+H-H2O]+ 222.99998 143.4
[M+HCOO]- 285.00092 165.0
[M+CH3COO]- 299.01657 185.8
[M+Na-2H]- 260.97739 153.8
[M]+ 240.00217 151.8
[M]- 240.00327 151.8
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