CID 121553298

2-(bromomethyl)-5-methanesulfonylfuran

Structural Information

Molecular Formula
C6H7BrO3S
SMILES
CS(=O)(=O)C1=CC=C(O1)CBr
InChI
InChI=1S/C6H7BrO3S/c1-11(8,9)6-3-2-5(4-7)10-6/h2-3H,4H2,1H3
InChIKey
MLGGPRWHXUZNIX-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-5-methylsulfonylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.92993 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.93721 134.7
[M+Na]+ 260.91915 149.0
[M-H]- 236.92265 142.8
[M+NH4]+ 255.96375 157.6
[M+K]+ 276.89309 139.5
[M+H-H2O]+ 220.92719 136.4
[M+HCOO]- 282.92813 152.4
[M+CH3COO]- 296.94378 182.6
[M+Na-2H]- 258.90460 141.6
[M]+ 237.92938 158.2
[M]- 237.93048 158.2
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.