CID 84668634

1785550-68-6

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 109.7
[M+Na]+ 220.92423 121.1
[M-H]- 196.92773 116.6
[M+NH4]+ 215.96883 128.9
[M+K]+ 236.89817 113.9
[M+H-H2O]+ 180.93227 107.3
[M+HCOO]- 242.93321 126.1
[M+CH3COO]- 256.94886 180.4
[M+Na-2H]- 218.90968 117.6
[M]+ 197.93446 137.7
[M]- 197.93556 137.7
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.