CID 137952284

3-(bromomethyl)-3-methylthietane

Structural Information

Molecular Formula
C5H9BrS
SMILES
CC1(CSC1)CBr
InChI
InChI=1S/C5H9BrS/c1-5(2-6)3-7-4-5/h2-4H2,1H3
InChIKey
GFDVCWXEBQXGBD-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-methylthietane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.96083 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.96811 111.1
[M+Na]+ 202.95005 121.5
[M-H]- 178.95355 117.7
[M+NH4]+ 197.99465 131.0
[M+K]+ 218.92399 114.4
[M+H-H2O]+ 162.95809 108.7
[M+HCOO]- 224.95903 126.6
[M+CH3COO]- 238.97468 180.2
[M+Na-2H]- 200.93550 119.0
[M]+ 179.96028 137.8
[M]- 179.96138 137.8
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.