CID 15323068

(3-bromopropyl)(tert-butyl)sulfane

Structural Information

Molecular Formula
C7H15BrS
SMILES
CC(C)(C)SCCCBr
InChI
InChI=1S/C7H15BrS/c1-7(2,3)9-6-4-5-8/h4-6H2,1-3H3
InChIKey
QESAOLFAFYVLJP-UHFFFAOYSA-N
Compound name
2-(3-bromopropylsulfanyl)-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

210.00778 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01506 132.0
[M+Na]+ 232.99700 133.5
[M+NH4]+ 228.04160 137.6
[M+K]+ 248.97094 132.3
[M-H]- 209.00050 131.0
[M+Na-2H]- 230.98245 133.5
[M]+ 210.00723 131.2
[M]- 210.00833 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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