CID 132342107

5-chloro-4-(chlorosulfonyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C5H2Cl2O5S
SMILES
C1=C(OC(=C1S(=O)(=O)Cl)Cl)C(=O)O
InChI
InChI=1S/C5H2Cl2O5S/c6-4-3(13(7,10)11)1-2(12-4)5(8)9/h1H,(H,8,9)
InChIKey
VMJWIBPOEHMVKO-UHFFFAOYSA-N
Compound name
5-chloro-4-chlorosulfonylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.9 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.90728 140.6
[M+Na]+ 266.88922 152.3
[M-H]- 242.89272 145.0
[M+NH4]+ 261.93382 159.9
[M+K]+ 282.86316 149.2
[M+H-H2O]+ 226.89726 138.9
[M+HCOO]- 288.89820 149.2
[M+CH3COO]- 302.91385 180.6
[M+Na-2H]- 264.87467 143.6
[M]+ 243.89945 148.0
[M]- 243.90055 148.0
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.