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]+ 270.949626 153.1
[M+Na]+ 292.931568 163.7
[M-H]- 268.935074 158.0
[M+NH4]+ 287.976173 173.0
[M+K]+ 308.905508 160.1
[M+H-H2O]+ 252.939610 149.7
[M+HCOO]- 314.940551 162.6
[M+CH3COO]- 328.956201 188.2
[M+Na-2H]- 290.917016 153.3
[M]+ 269.94180142 162.3
[M]- 269.94289858 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.