CID 73994901

Methyl 5-(chlorosulfonyl)-4-methoxythiophene-2-carboxylate

Structural Information

Molecular Formula
C7H7ClO5S2
SMILES
COC1=C(SC(=C1)C(=O)OC)S(=O)(=O)Cl
InChI
InChI=1S/C7H7ClO5S2/c1-12-4-3-5(6(9)13-2)14-7(4)15(8,10)11/h3H,1-2H3
InChIKey
NTXBRHJWMUYOQN-UHFFFAOYSA-N
Compound name
methyl 5-chlorosulfonyl-4-methoxythiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.94235 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.94963 153.1
[M+Na]+ 292.93157 163.7
[M-H]- 268.93507 158.0
[M+NH4]+ 287.97617 173.0
[M+K]+ 308.90551 160.1
[M+H-H2O]+ 252.93961 149.7
[M+HCOO]- 314.94055 162.6
[M+CH3COO]- 328.95620 188.2
[M+Na-2H]- 290.91702 153.3
[M]+ 269.94180 162.3
[M]- 269.94290 162.3
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.