CID 2761056

4-bromo-1-methyl-2-(methylsulfonyl)benzene

Structural Information

Molecular Formula
C8H9BrO2S
SMILES
CC1=C(C=C(C=C1)Br)S(=O)(=O)C
InChI
InChI=1S/C8H9BrO2S/c1-6-3-4-7(9)5-8(6)12(2,10)11/h3-5H,1-2H3
InChIKey
SRYXZVWRMOFVCO-UHFFFAOYSA-N
Compound name
4-bromo-1-methyl-2-methylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

247.95065 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.95793 132.0
[M+Na]+ 270.93987 135.8
[M+NH4]+ 265.98447 137.1
[M+K]+ 286.91381 135.2
[M-H]- 246.94337 132.2
[M+Na-2H]- 268.92532 136.0
[M]+ 247.95010 131.9
[M]- 247.95120 131.9
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