CID 138039738

4-formyl-2,5-dimethylthiophene-3-sulfonyl chloride

Structural Information

Molecular Formula
C7H7ClO3S2
SMILES
CC1=C(C(=C(S1)C)S(=O)(=O)Cl)C=O
InChI
InChI=1S/C7H7ClO3S2/c1-4-6(3-9)7(5(2)12-4)13(8,10)11/h3H,1-2H3
InChIKey
UYFMJQGYRVKDHD-UHFFFAOYSA-N
Compound name
4-formyl-2,5-dimethylthiophene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.95251 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.95979 146.3
[M+Na]+ 260.94173 158.5
[M-H]- 236.94523 151.5
[M+NH4]+ 255.98633 167.9
[M+K]+ 276.91567 153.4
[M+H-H2O]+ 220.94977 143.3
[M+HCOO]- 282.95071 156.2
[M+CH3COO]- 296.96636 185.2
[M+Na-2H]- 258.92718 146.1
[M]+ 237.95196 153.6
[M]- 237.95306 153.6
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.