CID 669304

4-bromo-n-(1,3-thiazol-2-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C9H7BrN2O2S2
SMILES
C1=CC(=CC=C1S(=O)(=O)NC2=NC=CS2)Br
InChI
InChI=1S/C9H7BrN2O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,(H,11,12)
InChIKey
JNVLDSBNISCATL-UHFFFAOYSA-N
Compound name
4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

67
Patents

317.91324 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.92052 145.0
[M+Na]+ 340.90246 159.0
[M-H]- 316.90596 153.8
[M+NH4]+ 335.94706 164.5
[M+K]+ 356.87640 145.7
[M+H-H2O]+ 300.91050 145.4
[M+HCOO]- 362.91144 158.8
[M+CH3COO]- 376.92709 196.3
[M+Na-2H]- 338.88791 151.3
[M]+ 317.91269 166.0
[M]- 317.91379 166.0
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