CID 96876

Indane-5-sulfonamide

Structural Information

Molecular Formula
C9H11NO2S
SMILES
C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C9H11NO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,10,11,12)
InChIKey
XVQJTFMKKZBBSX-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indene-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

99
Patents

197.05106 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 139.8
[M+Na]+ 220.04028 148.8
[M-H]- 196.04378 144.3
[M+NH4]+ 215.08488 162.2
[M+K]+ 236.01422 145.5
[M+H-H2O]+ 180.04832 135.2
[M+HCOO]- 242.04926 158.1
[M+CH3COO]- 256.06491 180.9
[M+Na-2H]- 218.02573 144.4
[M]+ 197.05051 140.0
[M]- 197.05161 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe