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 120.2
[M+Na]+ 230.98135 129.9
[M-H]- 206.98485 126.5
[M+NH4]+ 226.02595 137.6
[M+K]+ 246.95529 122.1
[M+H-H2O]+ 190.98939 116.2
[M+HCOO]- 252.99033 135.1
[M+CH3COO]- 267.00598 187.0
[M+Na-2H]- 228.96680 125.2
[M]+ 207.99158 147.4
[M]- 207.99268 147.4
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.