CID 132351184

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

Structural Information

Molecular Formula
C6H4BrClO5S
SMILES
COC(=O)C1=C(OC(=C1)S(=O)(=O)Cl)Br
InChI
InChI=1S/C6H4BrClO5S/c1-12-6(9)3-2-4(13-5(3)7)14(8,10)11/h2H,1H3
InChIKey
DUTVKUGFMPLMAO-UHFFFAOYSA-N
Compound name
methyl 2-bromo-5-chlorosulfonylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.86514 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.87242 143.5
[M+Na]+ 324.85436 158.8
[M-H]- 300.85786 152.1
[M+NH4]+ 319.89896 164.8
[M+K]+ 340.82830 148.3
[M+H-H2O]+ 284.86240 146.0
[M+HCOO]- 346.86334 156.5
[M+CH3COO]- 360.87899 190.6
[M+Na-2H]- 322.83981 149.1
[M]+ 301.86459 170.2
[M]- 301.86569 170.2
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.