CID 3027302

4-(methylsulfanyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C7H9NO2S2
SMILES
CSC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C7H9NO2S2/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey
DKCWFFVGFICMGR-UHFFFAOYSA-N
Compound name
4-methylsulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

203.00748 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.014756 139.2
[M+Na]+ 225.996698 148.1
[M-H]- 202.000204 142.5
[M+NH4]+ 221.041303 158.4
[M+K]+ 241.970638 143.4
[M+H-H2O]+ 186.004740 133.5
[M+HCOO]- 248.005681 152.7
[M+CH3COO]- 262.021331 182.0
[M+Na-2H]- 223.982146 142.2
[M]+ 203.00693142 140.6
[M]- 203.00802858 140.6
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