CID 16550

1,2-dichlorohexane

Structural Information

Molecular Formula
C6H12Cl2
SMILES
CCCCC(CCl)Cl
InChI
InChI=1S/C6H12Cl2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3
InChIKey
ZHFXSKJYCSWRJA-UHFFFAOYSA-N
Compound name
1,2-dichlorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

353
Patents

154.0316 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03888 130.0
[M+Na]+ 177.02082 138.1
[M-H]- 153.02432 129.5
[M+NH4]+ 172.06542 152.4
[M+K]+ 192.99476 134.4
[M+H-H2O]+ 137.02886 127.5
[M+HCOO]- 199.02980 143.2
[M+CH3COO]- 213.04545 177.1
[M+Na-2H]- 175.00627 134.8
[M]+ 154.03105 133.1
[M]- 154.03215 133.1
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