CID 40740

Chloroacetic acid 4-chloro-2-ethylphenyl ester

Structural Information

Molecular Formula
C10H10Cl2O2
SMILES
CCC1=C(C=CC(=C1)Cl)OC(=O)CCl
InChI
InChI=1S/C10H10Cl2O2/c1-2-7-5-8(12)3-4-9(7)14-10(13)6-11/h3-5H,2,6H2,1H3
InChIKey
CFICYSDKCUGCIX-UHFFFAOYSA-N
Compound name
(4-chloro-2-ethylphenyl) 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.00578 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.01306 143.8
[M+Na]+ 254.99500 154.0
[M-H]- 230.99850 147.3
[M+NH4]+ 250.03960 163.6
[M+K]+ 270.96894 149.3
[M+H-H2O]+ 215.00304 140.1
[M+HCOO]- 277.00398 158.2
[M+CH3COO]- 291.01963 188.4
[M+Na-2H]- 252.98045 147.9
[M]+ 232.00523 149.4
[M]- 232.00633 149.4
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.