CID 10869516

Methyl 5-chloro-3-(chlorosulfonyl)thiophene-2-carboxylate

Structural Information

Molecular Formula
C6H4Cl2O4S2
SMILES
COC(=O)C1=C(C=C(S1)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C6H4Cl2O4S2/c1-12-6(9)5-3(14(8,10)11)2-4(7)13-5/h2H,1H3
InChIKey
GDKPWFMFFKPATJ-UHFFFAOYSA-N
Compound name
methyl 5-chloro-3-chlorosulfonylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

273.8928 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.90008 151.5
[M+Na]+ 296.88202 162.8
[M-H]- 272.88552 156.4
[M+NH4]+ 291.92662 171.7
[M+K]+ 312.85596 157.9
[M+H-H2O]+ 256.89006 149.4
[M+HCOO]- 318.89100 156.2
[M+CH3COO]- 332.90665 187.9
[M+Na-2H]- 294.86747 151.2
[M]+ 273.89225 159.6
[M]- 273.89335 159.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe