CID 18922474

1-(bromomethyl)-2-methanesulfonylbenzene

Structural Information

Molecular Formula
C8H9BrO2S
SMILES
CS(=O)(=O)C1=CC=CC=C1CBr
InChI
InChI=1S/C8H9BrO2S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3
InChIKey
ZBLBWTFICJOODX-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

247.95065 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.957926 134.9
[M+Na]+ 270.939868 148.1
[M-H]- 246.943374 142.0
[M+NH4]+ 265.984473 156.9
[M+K]+ 286.913808 136.5
[M+H-H2O]+ 230.947910 135.9
[M+HCOO]- 292.948851 151.8
[M+CH3COO]- 306.964501 186.3
[M+Na-2H]- 268.925316 142.1
[M]+ 247.95010142 156.5
[M]- 247.95119858 156.5
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

patents stripe