CID 155821133

2490398-71-3

Structural Information

Molecular Formula
C7H13BrS
SMILES
CSCCC1CC(C1)Br
InChI
InChI=1S/C7H13BrS/c1-9-3-2-6-4-7(8)5-6/h6-7H,2-5H2,1H3
InChIKey
UYRBRMOUKVFXCI-UHFFFAOYSA-N
Compound name
1-bromo-3-(2-methylsulfanylethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.99213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.99941 122.6
[M+Na]+ 230.98135 121.0
[M+NH4]+ 226.02595 125.5
[M+K]+ 246.95529 121.4
[M-H]- 206.98485 121.2
[M+Na-2H]- 228.96680 123.5
[M]+ 207.99158 120.2
[M]- 207.99268 120.2
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.