CID 16551

1,6-dichlorohexane

Structural Information

Molecular Formula
C6H12Cl2
SMILES
C(CCCCl)CCCl
InChI
InChI=1S/C6H12Cl2/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey
OVISMSJCKCDOPU-UHFFFAOYSA-N
Compound name
1,6-dichlorohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

4774
Patents

154.0316 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03888 130.1
[M+Na]+ 177.02082 138.4
[M-H]- 153.02432 129.4
[M+NH4]+ 172.06542 152.5
[M+K]+ 192.99476 134.3
[M+H-H2O]+ 137.02886 127.4
[M+HCOO]- 199.02980 144.1
[M+CH3COO]- 213.04545 176.3
[M+Na-2H]- 175.00627 136.0
[M]+ 154.03105 133.7
[M]- 154.03215 133.7
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