CID 24688430

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

Structural Information

Molecular Formula
C5H2BrClO5S
SMILES
C1=C(OC(=C1S(=O)(=O)Cl)Br)C(=O)O
InChI
InChI=1S/C5H2BrClO5S/c6-4-3(13(7,10)11)1-2(12-4)5(8)9/h1H,(H,8,9)
InChIKey
BMHALDWUBWVPIK-UHFFFAOYSA-N
Compound name
5-bromo-4-chlorosulfonylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.8495 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.85678 139.5
[M+Na]+ 310.83872 154.6
[M-H]- 286.84222 146.8
[M+NH4]+ 305.88332 160.4
[M+K]+ 326.81266 143.3
[M+H-H2O]+ 270.84676 142.2
[M+HCOO]- 332.84770 151.2
[M+CH3COO]- 346.86335 186.1
[M+Na-2H]- 308.82417 145.0
[M]+ 287.84895 164.1
[M]- 287.85005 164.1
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.