CID 232314

6335-39-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

555
Patents

199.0667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.073976 140.9
[M+Na]+ 222.055918 148.9
[M-H]- 198.059424 144.5
[M+NH4]+ 217.100523 160.2
[M+K]+ 238.029858 146.1
[M+H-H2O]+ 182.063960 135.3
[M+HCOO]- 244.064901 158.6
[M+CH3COO]- 258.080551 184.0
[M+Na-2H]- 220.041366 144.0
[M]+ 199.06615142 141.8
[M]- 199.06724858 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