CID 165592760

2731007-93-3

Structural Information

Molecular Formula
C6H7ClO3S2
SMILES
COCC1=CSC(=C1)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClO3S2/c1-10-3-5-2-6(11-4-5)12(7,8)9/h2,4H,3H2,1H3
InChIKey
MASXVOLMIGJKDZ-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)thiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.95251 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.95979 144.4
[M+Na]+ 248.94173 155.4
[M-H]- 224.94523 149.1
[M+NH4]+ 243.98633 166.2
[M+K]+ 264.91567 151.1
[M+H-H2O]+ 208.94977 141.0
[M+HCOO]- 270.95071 154.7
[M+CH3COO]- 284.96636 180.9
[M+Na-2H]- 246.92718 145.8
[M]+ 225.95196 151.4
[M]- 225.95306 151.4
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.