CID 90909

23359-62-8

Structural Information

Molecular Formula
C16H23ClO4
SMILES
CCCCOCCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)C
InChI
InChI=1S/C16H23ClO4/c1-4-5-8-19-9-10-20-16(18)13(3)21-15-7-6-14(17)11-12(15)2/h6-7,11,13H,4-5,8-10H2,1-3H3
InChIKey
GWFGUAFFJVHZKY-UHFFFAOYSA-N
Compound name
2-butoxyethyl 2-(4-chloro-2-methylphenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

314.12848 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13576 171.9
[M+Na]+ 337.11770 178.7
[M-H]- 313.12120 175.1
[M+NH4]+ 332.16230 187.8
[M+K]+ 353.09164 175.7
[M+H-H2O]+ 297.12574 165.9
[M+HCOO]- 359.12668 188.8
[M+CH3COO]- 373.14233 206.5
[M+Na-2H]- 335.10315 172.3
[M]+ 314.12793 181.1
[M]- 314.12903 181.1
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

patents stripe