CID 43445846

2-[(2-bromoethyl)sulfanyl]-2-methylpropane

Structural Information

Molecular Formula
C6H13BrS
SMILES
CC(C)(C)SCCBr
InChI
InChI=1S/C6H13BrS/c1-6(2,3)8-5-4-7/h4-5H2,1-3H3
InChIKey
HPXSZQNSRRWXRY-UHFFFAOYSA-N
Compound name
2-(2-bromoethylsulfanyl)-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

195.99213 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99941 129.8
[M+Na]+ 218.98135 141.6
[M-H]- 194.98485 133.6
[M+NH4]+ 214.02595 153.9
[M+K]+ 234.95529 130.9
[M+H-H2O]+ 178.98939 131.2
[M+HCOO]- 240.99033 144.8
[M+CH3COO]- 255.00598 181.6
[M+Na-2H]- 216.96680 135.7
[M]+ 195.99158 150.9
[M]- 195.99268 150.9
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

patents stripe