CID 8469380

4-cyano-n-(2-methylpropyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C11H14N2O2S
SMILES
CC(C)CNS(=O)(=O)C1=CC=C(C=C1)C#N
InChI
InChI=1S/C11H14N2O2S/c1-9(2)8-13-16(14,15)11-5-3-10(7-12)4-6-11/h3-6,9,13H,8H2,1-2H3
InChIKey
JEKHWMYOOYINTH-UHFFFAOYSA-N
Compound name
4-cyano-N-(2-methylpropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.0776 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08488 160.8
[M+Na]+ 261.06682 169.9
[M-H]- 237.07032 164.6
[M+NH4]+ 256.11142 176.9
[M+K]+ 277.04076 167.0
[M+H-H2O]+ 221.07486 148.2
[M+HCOO]- 283.07580 175.1
[M+CH3COO]- 297.09145 203.1
[M+Na-2H]- 259.05227 163.1
[M]+ 238.07705 158.0
[M]- 238.07815 158.0
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