CID 3014114

9-chloro-10-hydroxyoctadecanoic acid

Structural Information

Molecular Formula
C18H35ClO3
SMILES
CCCCCCCCC(C(CCCCCCCC(=O)O)Cl)O
InChI
InChI=1S/C18H35ClO3/c1-2-3-4-5-8-11-14-17(20)16(19)13-10-7-6-9-12-15-18(21)22/h16-17,20H,2-15H2,1H3,(H,21,22)
InChIKey
OBJQYZRZIIFTBJ-UHFFFAOYSA-N
Compound name
9-chloro-10-hydroxyoctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

334.22748 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.23476 187.7
[M+Na]+ 357.21670 189.5
[M-H]- 333.22020 183.1
[M+NH4]+ 352.26130 201.0
[M+K]+ 373.19064 184.4
[M+H-H2O]+ 317.22474 182.4
[M+HCOO]- 379.22568 198.2
[M+CH3COO]- 393.24133 209.0
[M+Na-2H]- 355.20215 183.3
[M]+ 334.22693 193.3
[M]- 334.22803 193.3
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