CID 23273743

123045-56-7

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CC(C)C1=CC(=CC=C1)S(=O)(=O)N
InChI
InChI=1S/C9H13NO2S/c1-7(2)8-4-3-5-9(6-8)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12)
InChIKey
BNWXZHIYRPWHDT-UHFFFAOYSA-N
Compound name
3-propan-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

199.0667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 140.9
[M+Na]+ 222.05592 148.9
[M-H]- 198.05942 144.5
[M+NH4]+ 217.10052 160.2
[M+K]+ 238.02986 146.1
[M+H-H2O]+ 182.06396 135.3
[M+HCOO]- 244.06490 158.6
[M+CH3COO]- 258.08055 184.0
[M+Na-2H]- 220.04137 144.0
[M]+ 199.06615 141.8
[M]- 199.06725 141.8
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