CID 167716154

Rac-(1r,3r)-1-bromo-3-methanesulfonylcyclobutane

Structural Information

Molecular Formula
C5H9BrO2S
SMILES
CS(=O)(=O)C1CC(C1)Br
InChI
InChI=1S/C5H9BrO2S/c1-9(7,8)5-2-4(6)3-5/h4-5H,2-3H2,1H3
InChIKey
ZDLQDPBFXBLZPN-UHFFFAOYSA-N
Compound name
1-bromo-3-methylsulfonylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.95065 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.95793 117.2
[M+Na]+ 234.93987 127.9
[M-H]- 210.94337 123.8
[M+NH4]+ 229.98447 134.1
[M+K]+ 250.91381 120.6
[M+H-H2O]+ 194.94791 113.5
[M+HCOO]- 256.94885 131.9
[M+CH3COO]- 270.96450 183.8
[M+Na-2H]- 232.92532 123.7
[M]+ 211.95010 144.6
[M]- 211.95120 144.6
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.