CID 56935812

8,12-dihydroxy-9-chloro-5z,10z,14z,17z-eicosatetraenoic acid

Structural Information

Molecular Formula
C20H31ClO4
SMILES
CC/C=C\C/C=C\CC(/C=C\C(C(C/C=C\CCCC(=O)O)O)Cl)O
InChI
InChI=1S/C20H31ClO4/c1-2-3-4-5-6-9-12-17(22)15-16-18(21)19(23)13-10-7-8-11-14-20(24)25/h3-4,6-7,9-10,15-19,22-23H,2,5,8,11-14H2,1H3,(H,24,25)/b4-3-,9-6-,10-7-,16-15-
InChIKey
BEZAFRRJMXICCZ-NFFKABDNSA-N
Compound name
(5Z,10Z,14Z,17Z)-9-chloro-8,12-dihydroxyicosa-5,10,14,17-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1911 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19838 194.0
[M+Na]+ 393.18032 195.8
[M-H]- 369.18382 188.2
[M+NH4]+ 388.22492 205.0
[M+K]+ 409.15426 188.1
[M+H-H2O]+ 353.18836 189.2
[M+HCOO]- 415.18930 202.6
[M+CH3COO]- 429.20495 209.5
[M+Na-2H]- 391.16577 187.2
[M]+ 370.19055 196.3
[M]- 370.19165 196.3
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

No patent data available for this compound.