CID 65009158

1-(bromomethyl)-1-(methanesulfonylmethyl)cyclobutane

Structural Information

Molecular Formula
C7H13BrO2S
SMILES
CS(=O)(=O)CC1(CCC1)CBr
InChI
InChI=1S/C7H13BrO2S/c1-11(9,10)6-7(5-8)3-2-4-7/h2-6H2,1H3
InChIKey
NLGMVDVRUYIXBK-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(methylsulfonylmethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.98196 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98924 126.2
[M+Na]+ 262.97118 136.0
[M-H]- 238.97468 132.4
[M+NH4]+ 258.01578 143.7
[M+K]+ 278.94512 128.4
[M+H-H2O]+ 222.97922 123.5
[M+HCOO]- 284.98016 140.3
[M+CH3COO]- 298.99581 187.8
[M+Na-2H]- 260.95663 133.7
[M]+ 239.98141 154.4
[M]- 239.98251 154.4
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.