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]+ 244.907276 140.6
[M+Na]+ 266.889218 152.3
[M-H]- 242.892724 145.0
[M+NH4]+ 261.933823 159.9
[M+K]+ 282.863158 149.2
[M+H-H2O]+ 226.897260 138.9
[M+HCOO]- 288.898201 149.2
[M+CH3COO]- 302.913851 180.6
[M+Na-2H]- 264.874666 143.6
[M]+ 243.89945142 148.0
[M]- 243.90054858 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.