CID 2778695

3-chloro-4-(propane-2-sulfonyl)-thiophene-2-carbonyl chloride

Structural Information

Molecular Formula
C8H8Cl2O3S2
SMILES
CC(C)S(=O)(=O)C1=CSC(=C1Cl)C(=O)Cl
InChI
InChI=1S/C8H8Cl2O3S2/c1-4(2)15(12,13)5-3-14-7(6(5)9)8(10)11/h3-4H,1-2H3
InChIKey
IECIGDCEDBXRTI-UHFFFAOYSA-N
Compound name
3-chloro-4-propan-2-ylsulfonylthiophene-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

285.9292 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.93648 155.9
[M+Na]+ 308.91842 166.2
[M-H]- 284.92192 160.5
[M+NH4]+ 303.96302 175.6
[M+K]+ 324.89236 160.8
[M+H-H2O]+ 268.92646 153.6
[M+HCOO]- 330.92740 158.7
[M+CH3COO]- 344.94305 193.1
[M+Na-2H]- 306.90387 153.6
[M]+ 285.92865 162.9
[M]- 285.92975 162.9
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

patents stripe