CID 91726212

Chsirnhjpjdhlw-uhfffaoysa-n

Structural Information

Molecular Formula
C14H17ClO5
SMILES
CCOC(=O)CCC(=O)OCCOC1=CC=CC=C1Cl
InChI
InChI=1S/C14H17ClO5/c1-2-18-13(16)7-8-14(17)20-10-9-19-12-6-4-3-5-11(12)15/h3-6H,2,7-10H2,1H3
InChIKey
CHSIRNHJPJDHLW-UHFFFAOYSA-N
Compound name
4-O-[2-(2-chlorophenoxy)ethyl] 1-O-ethyl butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.07645 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.083726 164.6
[M+Na]+ 323.065668 171.6
[M-H]- 299.069174 167.8
[M+NH4]+ 318.110273 180.6
[M+K]+ 339.039608 169.0
[M+H-H2O]+ 283.073710 158.6
[M+HCOO]- 345.074651 182.7
[M+CH3COO]- 359.090301 200.0
[M+Na-2H]- 321.051116 166.9
[M]+ 300.07590142 173.3
[M]- 300.07699858 173.3
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.