CID 25823

2,5-dichlorohexane

Structural Information

Molecular Formula
C6H12Cl2
SMILES
CC(CCC(C)Cl)Cl
InChI
InChI=1S/C6H12Cl2/c1-5(7)3-4-6(2)8/h5-6H,3-4H2,1-2H3
InChIKey
RRFNCPBJVPQIPP-UHFFFAOYSA-N
Compound name
2,5-dichlorohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

154.0316 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03888 129.6
[M+Na]+ 177.02082 137.5
[M-H]- 153.02432 129.3
[M+NH4]+ 172.06542 152.0
[M+K]+ 192.99476 134.2
[M+H-H2O]+ 137.02886 127.3
[M+HCOO]- 199.02980 141.9
[M+CH3COO]- 213.04545 177.9
[M+Na-2H]- 175.00627 133.2
[M]+ 154.03105 132.2
[M]- 154.03215 132.2
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