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 140.6
[M+Na]+ 292.98174 141.1
[M+NH4]+ 288.02634 146.1
[M+K]+ 308.95568 140.0
[M-H]- 268.98524 140.7
[M+Na-2H]- 290.96719 143.2
[M]+ 269.99197 140.0
[M]- 269.99307 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.