CID 2757668

5-chloro-3-methylbenzo[b]thiophene-2-sulfonamide

Structural Information

Molecular Formula
C9H8ClNO2S2
SMILES
CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N
InChI
InChI=1S/C9H8ClNO2S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3,(H2,11,12,13)
InChIKey
CGMQMZKLIJYAKX-UHFFFAOYSA-N
Compound name
5-chloro-3-methyl-1-benzothiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

260.9685 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.97578 152.5
[M+Na]+ 283.95772 165.6
[M-H]- 259.96122 158.1
[M+NH4]+ 279.00232 174.0
[M+K]+ 299.93166 159.1
[M+H-H2O]+ 243.96576 149.3
[M+HCOO]- 305.96670 163.2
[M+CH3COO]- 319.98235 191.2
[M+Na-2H]- 281.94317 155.2
[M]+ 260.96795 159.0
[M]- 260.96905 159.0
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