CID 765826

N-benzylthiophene-2-sulfonamide

Structural Information

Molecular Formula
C11H11NO2S2
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CS2
InChI
InChI=1S/C11H11NO2S2/c13-16(14,11-7-4-8-15-11)12-9-10-5-2-1-3-6-10/h1-8,12H,9H2
InChIKey
ZBWRRXATZZOORF-UHFFFAOYSA-N
Compound name
N-benzylthiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

12
Patents

253.02312 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.03040 155.0
[M+Na]+ 276.01234 163.7
[M-H]- 252.01584 161.8
[M+NH4]+ 271.05694 174.0
[M+K]+ 291.98628 158.5
[M+H-H2O]+ 236.02038 148.9
[M+HCOO]- 298.02132 170.8
[M+CH3COO]- 312.03697 189.1
[M+Na-2H]- 273.99779 158.2
[M]+ 253.02257 157.3
[M]- 253.02367 157.3
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