CID 132398507

2167771-25-5

Structural Information

Molecular Formula
C7H7ClO4S2
SMILES
COC(=O)C1=C(C=CS1)CS(=O)(=O)Cl
InChI
InChI=1S/C7H7ClO4S2/c1-12-7(9)6-5(2-3-13-6)4-14(8,10)11/h2-3H,4H2,1H3
InChIKey
XMWNNEBXPCZLEH-UHFFFAOYSA-N
Compound name
methyl 3-(chlorosulfonylmethyl)thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.94743 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.954706 151.3
[M+Na]+ 276.936648 161.5
[M-H]- 252.940154 155.9
[M+NH4]+ 271.981253 171.7
[M+K]+ 292.910588 157.4
[M+H-H2O]+ 236.944690 147.8
[M+HCOO]- 298.945631 160.6
[M+CH3COO]- 312.961281 185.0
[M+Na-2H]- 274.922096 151.6
[M]+ 253.94688142 158.7
[M]- 253.94797858 158.7
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.