CID 3014115

10-chloro-9-hydroxystearic acid

Structural Information

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

literature stripe

Patent stripe

patents stripe