CID 62224365

Methyl 2-chloro-2-(2,3-dichlorophenyl)acetate

Structural Information

Molecular Formula
C9H7Cl3O2
SMILES
COC(=O)C(C1=C(C(=CC=C1)Cl)Cl)Cl
InChI
InChI=1S/C9H7Cl3O2/c1-14-9(13)8(12)5-3-2-4-6(10)7(5)11/h2-4,8H,1H3
InChIKey
NKNAHSMAOKVDDU-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2-(2,3-dichlorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.95116 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.95844 144.0
[M+Na]+ 274.94038 154.1
[M-H]- 250.94388 146.5
[M+NH4]+ 269.98498 162.7
[M+K]+ 290.91432 149.2
[M+H-H2O]+ 234.94842 141.3
[M+HCOO]- 296.94936 152.3
[M+CH3COO]- 310.96501 191.7
[M+Na-2H]- 272.92583 146.5
[M]+ 251.95061 148.7
[M]- 251.95171 148.7
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.