CID 14550262

7,8-dichlorohexadecanoic acid

Structural Information

Molecular Formula
C16H30Cl2O2
SMILES
CCCCCCCCC(C(CCCCCC(=O)O)Cl)Cl
InChI
InChI=1S/C16H30Cl2O2/c1-2-3-4-5-6-8-11-14(17)15(18)12-9-7-10-13-16(19)20/h14-15H,2-13H2,1H3,(H,19,20)
InChIKey
IWIVTQOROAIDTG-UHFFFAOYSA-N
Compound name
7,8-dichlorohexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

324.1623 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16958 179.7
[M+Na]+ 347.15152 183.3
[M-H]- 323.15502 176.5
[M+NH4]+ 342.19612 194.6
[M+K]+ 363.12546 177.3
[M+H-H2O]+ 307.15956 175.7
[M+HCOO]- 369.16050 187.2
[M+CH3COO]- 383.17615 208.0
[M+Na-2H]- 345.13697 176.4
[M]+ 324.16175 186.0
[M]- 324.16285 186.0
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