CID 84668634

3-(bromomethyl)thietane 1,1-dioxide

Structural Information

Molecular Formula
C4H7BrO2S
SMILES
C1C(CS1(=O)=O)CBr
InChI
InChI=1S/C4H7BrO2S/c5-1-4-2-8(6,7)3-4/h4H,1-3H2
InChIKey
GSTCKMBGUGAULZ-UHFFFAOYSA-N
Compound name
3-(bromomethyl)thietane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.93501 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.94229 118.0
[M+Na]+ 220.92423 116.2
[M+NH4]+ 215.96883 121.0
[M+K]+ 236.89817 116.5
[M-H]- 196.92773 115.3
[M+Na-2H]- 218.90968 119.8
[M]+ 197.93446 115.2
[M]- 197.93556 115.2
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.