CID 155821509

1195706-31-0

Structural Information

Molecular Formula
C5H7BrO2S
SMILES
C1CS(=O)(=O)CC=C1Br
InChI
InChI=1S/C5H7BrO2S/c6-5-1-3-9(7,8)4-2-5/h1H,2-4H2
InChIKey
IEALZOHSWYAFJZ-UHFFFAOYSA-N
Compound name
4-bromo-3,6-dihydro-2H-thiopyran 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.93501 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.94229 121.8
[M+Na]+ 232.92423 134.7
[M-H]- 208.92773 128.8
[M+NH4]+ 227.96883 146.9
[M+K]+ 248.89817 124.2
[M+H-H2O]+ 192.93227 124.1
[M+HCOO]- 254.93321 138.4
[M+CH3COO]- 268.94886 177.9
[M+Na-2H]- 230.90968 129.7
[M]+ 209.93446 140.9
[M]- 209.93556 140.9
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.