CID 21544100

3-bromo-5-cyanobenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H5BrN2O2S
SMILES
C1=C(C=C(C=C1S(=O)(=O)N)Br)C#N
InChI
InChI=1S/C7H5BrN2O2S/c8-6-1-5(4-9)2-7(3-6)13(10,11)12/h1-3H,(H2,10,11,12)
InChIKey
KRPSIXTXUAQSKG-UHFFFAOYSA-N
Compound name
3-bromo-5-cyanobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

259.9255 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.93278 143.5
[M+Na]+ 282.91472 158.2
[M-H]- 258.91822 148.8
[M+NH4]+ 277.95932 162.1
[M+K]+ 298.88866 146.4
[M+H-H2O]+ 242.92276 136.8
[M+HCOO]- 304.92370 159.5
[M+CH3COO]- 318.93935 200.7
[M+Na-2H]- 280.90017 148.9
[M]+ 259.92495 156.2
[M]- 259.92605 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe