CID 51012

Chloromethyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C8H5Cl3O2
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)OCCl
InChI
InChI=1S/C8H5Cl3O2/c9-4-13-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChIKey
DOIDCVLQRFSVNF-UHFFFAOYSA-N
Compound name
chloromethyl 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.93552 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.94280 140.4
[M+Na]+ 260.92474 151.2
[M-H]- 236.92824 142.9
[M+NH4]+ 255.96934 159.7
[M+K]+ 276.89868 146.1
[M+H-H2O]+ 220.93278 137.7
[M+HCOO]- 282.93372 149.9
[M+CH3COO]- 296.94937 188.1
[M+Na-2H]- 258.91019 144.5
[M]+ 237.93497 145.2
[M]- 237.93607 145.2
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

patents stripe