CID 57950193

720719-21-1

Structural Information

Molecular Formula
C5H9BrS
SMILES
C1CSCC1CBr
InChI
InChI=1S/C5H9BrS/c6-3-5-1-2-7-4-5/h5H,1-4H2
InChIKey
UCXWUMCZCAICJQ-UHFFFAOYSA-N
Compound name
3-(bromomethyl)thiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

179.96083 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.968106 126.8
[M+Na]+ 202.950048 138.5
[M-H]- 178.953554 133.4
[M+NH4]+ 197.994653 152.9
[M+K]+ 218.923988 128.4
[M+H-H2O]+ 162.958090 128.3
[M+HCOO]- 224.959031 143.4
[M+CH3COO]- 238.974681 175.4
[M+Na-2H]- 200.935496 131.1
[M]+ 179.96028142 144.3
[M]- 179.96137858 144.3
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

patents stripe