CID 126998602

2-bromo-5-(methanesulfonylmethyl)thiophene

Structural Information

Molecular Formula
C6H7BrO2S2
SMILES
CS(=O)(=O)CC1=CC=C(S1)Br
InChI
InChI=1S/C6H7BrO2S2/c1-11(8,9)4-5-2-3-6(7)10-5/h2-3H,4H2,1H3
InChIKey
LRMLBJNWKJWPQS-UHFFFAOYSA-N
Compound name
2-bromo-5-(methylsulfonylmethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.90707 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.91435 129.7
[M+Na]+ 276.89629 131.2
[M+NH4]+ 271.94089 134.9
[M+K]+ 292.87023 131.1
[M-H]- 252.89979 129.2
[M+Na-2H]- 274.88174 131.7
[M]+ 253.90652 129.3
[M]- 253.90762 129.3
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.