CID 65004846

4-(bromomethyl)-4-[(methylsulfanyl)methyl]oxane

Structural Information

Molecular Formula
C8H15BrOS
SMILES
CSCC1(CCOCC1)CBr
InChI
InChI=1S/C8H15BrOS/c1-11-7-8(6-9)2-4-10-5-3-8/h2-7H2,1H3
InChIKey
SQRLJOYSVVUYBW-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-4-(methylsulfanylmethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0027 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00998 136.8
[M+Na]+ 260.99192 146.3
[M-H]- 236.99542 143.2
[M+NH4]+ 256.03652 159.4
[M+K]+ 276.96586 137.1
[M+H-H2O]+ 220.99996 138.4
[M+HCOO]- 283.00090 149.9
[M+CH3COO]- 297.01655 185.2
[M+Na-2H]- 258.97737 143.5
[M]+ 238.00215 155.5
[M]- 238.00325 155.5
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.