CID 18434694

Methyl 3-(chlorosulfonyl)-4-methylthiophene-2-carboxylate

Structural Information

Molecular Formula
C7H7ClO4S2
SMILES
CC1=CSC(=C1S(=O)(=O)Cl)C(=O)OC
InChI
InChI=1S/C7H7ClO4S2/c1-4-3-13-5(7(9)12-2)6(4)14(8,10)11/h3H,1-2H3
InChIKey
ZVULPSJAJURKJK-UHFFFAOYSA-N
Compound name
methyl 3-chlorosulfonyl-4-methylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

253.94743 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.954706 150.1
[M+Na]+ 276.936648 161.0
[M-H]- 252.940154 155.1
[M+NH4]+ 271.981253 170.8
[M+K]+ 292.910588 156.9
[M+H-H2O]+ 236.944690 146.9
[M+HCOO]- 298.945631 159.3
[M+CH3COO]- 312.961281 186.2
[M+Na-2H]- 274.922096 150.0
[M]+ 253.94688142 157.9
[M]- 253.94797858 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