CID 393681

Nsc696057

Structural Information

Molecular Formula
C12H13NO2S2
SMILES
CC1=C(SC(=C1S(=O)(=O)C2=CC=CC=C2)N)C
InChI
InChI=1S/C12H13NO2S2/c1-8-9(2)16-12(13)11(8)17(14,15)10-6-4-3-5-7-10/h3-7H,13H2,1-2H3
InChIKey
IRLRZVMPGRKKAY-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-4,5-dimethylthiophen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.03876 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.04604 158.3
[M+Na]+ 290.02798 168.8
[M-H]- 266.03148 165.5
[M+NH4]+ 285.07258 177.3
[M+K]+ 306.00192 163.0
[M+H-H2O]+ 250.03602 152.8
[M+HCOO]- 312.03696 172.9
[M+CH3COO]- 326.05261 194.8
[M+Na-2H]- 288.01343 158.3
[M]+ 267.03821 161.2
[M]- 267.03931 161.2
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

No patent data available for this compound.