CID 7213297

N-butyl 3-bromo-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C11H16BrNO2S
SMILES
CCCCNS(=O)(=O)C1=CC(=C(C=C1)C)Br
InChI
InChI=1S/C11H16BrNO2S/c1-3-4-7-13-16(14,15)10-6-5-9(2)11(12)8-10/h5-6,8,13H,3-4,7H2,1-2H3
InChIKey
CKNIVAHVDJSPNA-UHFFFAOYSA-N
Compound name
3-bromo-N-butyl-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0085 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.01578 151.5
[M+Na]+ 327.99772 163.1
[M-H]- 304.00122 158.0
[M+NH4]+ 323.04232 170.9
[M+K]+ 343.97166 150.2
[M+H-H2O]+ 288.00576 151.0
[M+HCOO]- 350.00670 168.0
[M+CH3COO]- 364.02235 200.3
[M+Na-2H]- 325.98317 156.9
[M]+ 305.00795 173.5
[M]- 305.00905 173.5
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

No patent data available for this compound.