CID 65004771

4-(bromomethyl)-4-(methanesulfonylmethyl)oxane

Structural Information

Molecular Formula
C8H15BrO3S
SMILES
CS(=O)(=O)CC1(CCOCC1)CBr
InChI
InChI=1S/C8H15BrO3S/c1-13(10,11)7-8(6-9)2-4-12-5-3-8/h2-7H2,1H3
InChIKey
QYLALZRZALGVEO-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-4-(methylsulfonylmethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.99252 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99980 141.8
[M+Na]+ 292.98174 151.9
[M-H]- 268.98524 148.3
[M+NH4]+ 288.02634 163.0
[M+K]+ 308.95568 142.7
[M+H-H2O]+ 252.98978 143.7
[M+HCOO]- 314.99072 154.2
[M+CH3COO]- 329.00637 187.8
[M+Na-2H]- 290.96719 149.6
[M]+ 269.99197 161.6
[M]- 269.99307 161.6
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.