CID 6434103

31574-38-6

Structural Information

Molecular Formula
C20H19ClO5
SMILES
COC1=CC=CC=C1/C=C\C(=O)C2=C(C=CC(=C2)Cl)OCCCC(=O)O
InChI
InChI=1S/C20H19ClO5/c1-25-18-6-3-2-5-14(18)8-10-17(22)16-13-15(21)9-11-19(16)26-12-4-7-20(23)24/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,23,24)/b10-8-
InChIKey
FTQKZEFOUOXKOU-NTMALXAHSA-N
Compound name
4-[4-chloro-2-[(Z)-3-(2-methoxyphenyl)prop-2-enoyl]phenoxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0921 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.09938 184.4
[M+Na]+ 397.08132 191.4
[M-H]- 373.08482 189.6
[M+NH4]+ 392.12592 196.5
[M+K]+ 413.05526 186.0
[M+H-H2O]+ 357.08936 177.1
[M+HCOO]- 419.09030 200.4
[M+CH3COO]- 433.10595 213.6
[M+Na-2H]- 395.06677 184.2
[M]+ 374.09155 191.0
[M]- 374.09265 191.0
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.