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
3
Annotation Hits

0
References

894
Patents

197.9811 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.988376 134.6
[M+Na]+ 220.970318 146.4
[M-H]- 196.973824 137.5
[M+NH4]+ 216.014923 158.5
[M+K]+ 236.944258 134.2
[M+H-H2O]+ 180.978360 136.4
[M+HCOO]- 242.979301 151.5
[M+CH3COO]- 256.994951 182.0
[M+Na-2H]- 218.955766 142.4
[M]+ 197.98055142 155.7
[M]- 197.98164858 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

literature stripe

Patent stripe

patents stripe