CID 15294528

3-acetyl-2-(aminosulfonyl)-5-chlorothiophene

Structural Information

Molecular Formula
C6H6ClNO3S2
SMILES
CC(=O)C1=C(SC(=C1)Cl)S(=O)(=O)N
InChI
InChI=1S/C6H6ClNO3S2/c1-3(9)4-2-5(7)12-6(4)13(8,10)11/h2H,1H3,(H2,8,10,11)
InChIKey
ODLFFSHLXVZFPY-UHFFFAOYSA-N
Compound name
3-acetyl-5-chlorothiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

238.94777 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.95505 147.4
[M+Na]+ 261.93699 157.8
[M-H]- 237.94049 151.6
[M+NH4]+ 256.98159 167.8
[M+K]+ 277.91093 152.7
[M+H-H2O]+ 221.94503 143.8
[M+HCOO]- 283.94597 156.7
[M+CH3COO]- 297.96162 186.0
[M+Na-2H]- 259.92244 146.9
[M]+ 238.94722 151.6
[M]- 238.94832 151.6
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

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