CID 23330907

2,6-dichlorohexanoic acid

Structural Information

Molecular Formula
C6H10Cl2O2
SMILES
C(CCCl)CC(C(=O)O)Cl
InChI
InChI=1S/C6H10Cl2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4H2,(H,9,10)
InChIKey
MYQBLAFRUNDQIS-UHFFFAOYSA-N
Compound name
2,6-dichlorohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

184.00578 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01306 134.0
[M+Na]+ 206.99500 141.8
[M-H]- 182.99850 132.4
[M+NH4]+ 202.03960 154.4
[M+K]+ 222.96894 137.9
[M+H-H2O]+ 167.00304 131.8
[M+HCOO]- 229.00398 145.6
[M+CH3COO]- 243.01963 178.0
[M+Na-2H]- 204.98045 137.1
[M]+ 184.00523 136.9
[M]- 184.00633 136.9
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

patents stripe