CID 3019389

2-(3,4-dichlorophenyl)-2-methoxyacetyl chloride

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

251.95116 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.958436 143.8
[M+Na]+ 274.940378 153.8
[M-H]- 250.943884 146.2
[M+NH4]+ 269.984983 162.5
[M+K]+ 290.914318 148.9
[M+H-H2O]+ 234.948420 141.1
[M+HCOO]- 296.949361 152.1
[M+CH3COO]- 310.965011 192.4
[M+Na-2H]- 272.925826 146.3
[M]+ 251.95061142 148.6
[M]- 251.95170858 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe