CID 10042671

(e)-5-[(1z,5e,8e,11z)-1-chlorotetradeca-1,5,8,11,13-pentaenoxy]pent-4-enoic acid

Structural Information

Molecular Formula
C19H25ClO3
SMILES
C=C/C=C\C/C=C/C/C=C/CC/C=C(/O/C=C/CCC(=O)O)\Cl
InChI
InChI=1S/C19H25ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(20)23-17-14-13-16-19(21)22/h2-4,6-7,9-10,14-15,17H,1,5,8,11-13,16H2,(H,21,22)/b4-3-,7-6+,10-9+,17-14+,18-15+
InChIKey
XZIJBWJIVVWFHL-FWVLDFCKSA-N
Compound name
(E)-5-[(1Z,5E,8E,11Z)-1-chlorotetradeca-1,5,8,11,13-pentaenoxy]pent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.14923 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15651 183.6
[M+Na]+ 359.13845 187.9
[M-H]- 335.14195 180.7
[M+NH4]+ 354.18305 197.5
[M+K]+ 375.11239 179.2
[M+H-H2O]+ 319.14649 178.5
[M+HCOO]- 381.14743 197.5
[M+CH3COO]- 395.16308 205.5
[M+Na-2H]- 357.12390 180.7
[M]+ 336.14868 187.6
[M]- 336.14978 187.6
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.