CID 15323068

119549-23-4

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 134.3
[M+Na]+ 232.99700 145.7
[M-H]- 209.00050 137.9
[M+NH4]+ 228.04160 157.9
[M+K]+ 248.97094 134.7
[M+H-H2O]+ 193.00504 135.5
[M+HCOO]- 255.00598 149.0
[M+CH3COO]- 269.02163 184.4
[M+Na-2H]- 230.98245 139.7
[M]+ 210.00723 155.8
[M]- 210.00833 155.8
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

patents stripe