CID 132047706

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

Structural Information

Molecular Formula
C6H4Cl2O5S
SMILES
COC(=O)C1=C(OC(=C1)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C6H4Cl2O5S/c1-12-6(9)3-2-4(13-5(3)7)14(8,10)11/h2H,1H3
InChIKey
ODWQYBCTNMAWHM-UHFFFAOYSA-N
Compound name
methyl 2-chloro-5-chlorosulfonylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

257.91565 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.92293 145.3
[M+Na]+ 280.90487 157.1
[M-H]- 256.90837 150.9
[M+NH4]+ 275.94947 164.8
[M+K]+ 296.87881 154.6
[M+H-H2O]+ 240.91291 143.1
[M+HCOO]- 302.91385 155.0
[M+CH3COO]- 316.92950 185.3
[M+Na-2H]- 278.89032 148.1
[M]+ 257.91510 154.7
[M]- 257.91620 154.7
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

patents stripe