CID 132398767

3-(bromomethyl)-2-methanesulfonylthiophene

Structural Information

Molecular Formula
C6H7BrO2S2
SMILES
CS(=O)(=O)C1=C(C=CS1)CBr
InChI
InChI=1S/C6H7BrO2S2/c1-11(8,9)6-5(4-7)2-3-10-6/h2-3H,4H2,1H3
InChIKey
DJCFANBKLWARQC-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2-methylsulfonylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.90707 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.91435 133.0
[M+Na]+ 276.89629 147.8
[M-H]- 252.89979 140.3
[M+NH4]+ 271.94089 156.7
[M+K]+ 292.87023 135.6
[M+H-H2O]+ 236.90433 134.7
[M+HCOO]- 298.90527 146.1
[M+CH3COO]- 312.92092 185.4
[M+Na-2H]- 274.88174 137.4
[M]+ 253.90652 155.3
[M]- 253.90762 155.3
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.