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

24
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 159.0
[M+Na]+ 296.88202 169.2
[M+NH4]+ 291.92662 166.3
[M+K]+ 312.85596 162.4
[M-H]- 272.88552 158.1
[M+Na-2H]- 294.86747 160.9
[M]+ 273.89225 161.4
[M]- 273.89335 161.4
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

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