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]+ 233.013056 143.8
[M+Na]+ 254.994998 154.0
[M-H]- 230.998504 147.3
[M+NH4]+ 250.039603 163.6
[M+K]+ 270.968938 149.3
[M+H-H2O]+ 215.003040 140.1
[M+HCOO]- 277.003981 158.2
[M+CH3COO]- 291.019631 188.4
[M+Na-2H]- 252.980446 147.9
[M]+ 232.00523142 149.4
[M]- 232.00632858 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.