CID 80516

1-bromo-6-chlorohexane

Structural Information

Molecular Formula
C6H12BrCl
SMILES
C(CCCBr)CCCl
InChI
InChI=1S/C6H12BrCl/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey
JTYUIAOHIYZBPB-UHFFFAOYSA-N
Compound name
1-bromo-6-chlorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

890
Patents

197.9811 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98838 134.6
[M+Na]+ 220.97032 146.4
[M-H]- 196.97382 137.5
[M+NH4]+ 216.01492 158.5
[M+K]+ 236.94426 134.2
[M+H-H2O]+ 180.97836 136.4
[M+HCOO]- 242.97930 151.5
[M+CH3COO]- 256.99495 182.0
[M+Na-2H]- 218.95577 142.4
[M]+ 197.98055 155.7
[M]- 197.98165 155.7
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.