CID 131317184

Methyl 5-(chlorosulfonyl)-2-methylthiophene-3-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 150.1
[M+Na]+ 276.93665 161.0
[M-H]- 252.94015 155.1
[M+NH4]+ 271.98125 170.8
[M+K]+ 292.91059 156.9
[M+H-H2O]+ 236.94469 146.9
[M+HCOO]- 298.94563 159.3
[M+CH3COO]- 312.96128 186.2
[M+Na-2H]- 274.92210 150.0
[M]+ 253.94688 157.9
[M]- 253.94798 157.9
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