CID 199194

Succinic acid, alpha-butyl-p-chlorobenzyl ester

Structural Information

Molecular Formula
C15H19ClO4
SMILES
C1=CC(=CC=C1CCCCCOC(=O)CCC(=O)O)Cl
InChI
InChI=1S/C15H19ClO4/c16-13-7-5-12(6-8-13)4-2-1-3-11-20-15(19)10-9-14(17)18/h5-8H,1-4,9-11H2,(H,17,18)
InChIKey
LCPXTPZKKXGDAK-UHFFFAOYSA-N
Compound name
4-[5-(4-chlorophenyl)pentoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0972 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10448 167.2
[M+Na]+ 321.08642 178.1
[M+NH4]+ 316.13102 173.2
[M+K]+ 337.06036 171.8
[M-H]- 297.08992 166.9
[M+Na-2H]- 319.07187 170.9
[M]+ 298.09665 168.7
[M]- 298.09775 168.7
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.