CID 122163219

1-(bromomethyl)-1-methanesulfonylcyclohexane

Structural Information

Molecular Formula
C8H15BrO2S
SMILES
CS(=O)(=O)C1(CCCCC1)CBr
InChI
InChI=1S/C8H15BrO2S/c1-12(10,11)8(7-9)5-3-2-4-6-8/h2-7H2,1H3
InChIKey
SYBDIFVXFSLURM-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-methylsulfonylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.9976 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00488 139.7
[M+Na]+ 276.98682 149.9
[M-H]- 252.99032 145.6
[M+NH4]+ 272.03142 162.7
[M+K]+ 292.96076 139.2
[M+H-H2O]+ 236.99486 141.7
[M+HCOO]- 298.99580 152.5
[M+CH3COO]- 313.01145 185.9
[M+Na-2H]- 274.97227 146.3
[M]+ 253.99705 157.6
[M]- 253.99815 157.6
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.