CID 43212850

1094563-49-1

Structural Information

Molecular Formula
C9H12BrNO2S
SMILES
CCNS(=O)(=O)C1=CC(=C(C=C1)Br)C
InChI
InChI=1S/C9H12BrNO2S/c1-3-11-14(12,13)8-4-5-9(10)7(2)6-8/h4-6,11H,3H2,1-2H3
InChIKey
JIGXMQLKBPEGMI-UHFFFAOYSA-N
Compound name
4-bromo-N-ethyl-3-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

276.9772 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.984476 142.6
[M+Na]+ 299.966418 155.0
[M-H]- 275.969924 149.5
[M+NH4]+ 295.011023 163.1
[M+K]+ 315.940358 142.6
[M+H-H2O]+ 259.974460 142.5
[M+HCOO]- 321.975401 159.8
[M+CH3COO]- 335.991051 194.7
[M+Na-2H]- 297.951866 149.0
[M]+ 276.97665142 163.9
[M]- 276.97774858 163.9
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