CID 349149

2-(2,4-dichlorophenoxy)ethyl lactate

Structural Information

Molecular Formula
C11H12Cl2O4
SMILES
CC(C(=O)OCCOC1=C(C=C(C=C1)Cl)Cl)O
InChI
InChI=1S/C11H12Cl2O4/c1-7(14)11(15)17-5-4-16-10-3-2-8(12)6-9(10)13/h2-3,6-7,14H,4-5H2,1H3
InChIKey
XAFHQVZKKITJGE-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)ethyl 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.01126 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.01854 152.9
[M+Na]+ 301.00048 161.8
[M-H]- 277.00398 155.1
[M+NH4]+ 296.04508 170.0
[M+K]+ 316.97442 157.7
[M+H-H2O]+ 261.00852 149.2
[M+HCOO]- 323.00946 165.2
[M+CH3COO]- 337.02511 193.7
[M+Na-2H]- 298.98593 155.1
[M]+ 278.01071 159.5
[M]- 278.01181 159.5
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