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]+ 252.958436 144.0
[M+Na]+ 274.940378 154.1
[M-H]- 250.943884 146.5
[M+NH4]+ 269.984983 162.7
[M+K]+ 290.914318 149.2
[M+H-H2O]+ 234.948420 141.3
[M+HCOO]- 296.949361 152.3
[M+CH3COO]- 310.965011 191.7
[M+Na-2H]- 272.925826 146.5
[M]+ 251.95061142 148.7
[M]- 251.95170858 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.