CID 170913288

3,3-bis(bromomethyl)thietane 1,1-dioxide

Structural Information

Molecular Formula
C5H8Br2O2S
SMILES
C1C(CS1(=O)=O)(CBr)CBr
InChI
InChI=1S/C5H8Br2O2S/c6-1-5(2-7)3-10(8,9)4-5/h1-4H2
InChIKey
ILPKVKXFASYSBF-UHFFFAOYSA-N
Compound name
3,3-bis(bromomethyl)thietane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.86118 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.86846 106.5
[M+Na]+ 312.85040 117.8
[M-H]- 288.85390 113.9
[M+NH4]+ 307.89500 124.6
[M+K]+ 328.82434 105.1
[M+H-H2O]+ 272.85844 113.7
[M+HCOO]- 334.85938 118.8
[M+CH3COO]- 348.87503 200.6
[M+Na-2H]- 310.83585 116.4
[M]+ 289.86063 148.6
[M]- 289.86173 148.6
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.