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

2
Patents

276.9772 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.98448 142.6
[M+Na]+ 299.96642 155.0
[M-H]- 275.96992 149.5
[M+NH4]+ 295.01102 163.1
[M+K]+ 315.94036 142.6
[M+H-H2O]+ 259.97446 142.5
[M+HCOO]- 321.97540 159.8
[M+CH3COO]- 335.99105 194.7
[M+Na-2H]- 297.95187 149.0
[M]+ 276.97665 163.9
[M]- 276.97775 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