CID 84708334

1565929-24-9

Structural Information

Molecular Formula
C7H7ClO4S2
SMILES
CC1=C(C=C(S1)C(=O)OC)S(=O)(=O)Cl
InChI
InChI=1S/C7H7ClO4S2/c1-4-6(14(8,10)11)3-5(13-4)7(9)12-2/h3H,1-2H3
InChIKey
QVOZELKMBWWEJV-UHFFFAOYSA-N
Compound name
methyl 4-chlorosulfonyl-5-methylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.94743 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.95471 155.4
[M+Na]+ 276.93665 165.1
[M+NH4]+ 271.98125 162.6
[M+K]+ 292.91059 158.8
[M-H]- 252.94015 154.6
[M+Na-2H]- 274.92210 157.3
[M]+ 253.94688 157.6
[M]- 253.94798 157.6
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.