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]+ 302.872416 143.5
[M+Na]+ 324.854358 158.8
[M-H]- 300.857864 152.1
[M+NH4]+ 319.898963 164.8
[M+K]+ 340.828298 148.3
[M+H-H2O]+ 284.862400 146.0
[M+HCOO]- 346.863341 156.5
[M+CH3COO]- 360.878991 190.6
[M+Na-2H]- 322.839806 149.1
[M]+ 301.86459142 170.2
[M]- 301.86568858 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.