CID 56935810

3,4-dichloro-tridecanoic acid

Structural Information

Molecular Formula
C13H24Cl2O2
SMILES
CCCCCCCCCC(C(CC(=O)O)Cl)Cl
InChI
InChI=1S/C13H24Cl2O2/c1-2-3-4-5-6-7-8-9-11(14)12(15)10-13(16)17/h11-12H,2-10H2,1H3,(H,16,17)
InChIKey
LVHXZABYFGYKLF-UHFFFAOYSA-N
Compound name
3,4-dichlorotridecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

282.11533 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12261 166.0
[M+Na]+ 305.10455 170.8
[M-H]- 281.10805 163.3
[M+NH4]+ 300.14915 182.6
[M+K]+ 321.07849 165.5
[M+H-H2O]+ 265.11259 162.6
[M+HCOO]- 327.11353 174.5
[M+CH3COO]- 341.12918 199.3
[M+Na-2H]- 303.09000 164.2
[M]+ 282.11478 171.1
[M]- 282.11588 171.1
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