CID 82550972

86569-80-4

Structural Information

Molecular Formula
C9H7Cl3O2
SMILES
CCOC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl
InChI
InChI=1S/C9H7Cl3O2/c1-2-14-9(13)5-3-4-6(10)8(12)7(5)11/h3-4H,2H2,1H3
InChIKey
NXNCZXVERAUAKD-UHFFFAOYSA-N
Compound name
ethyl 2,3,4-trichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

251.95116 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.958436 144.3
[M+Na]+ 274.940378 155.5
[M-H]- 250.943884 147.0
[M+NH4]+ 269.984983 163.4
[M+K]+ 290.914318 150.2
[M+H-H2O]+ 234.948420 141.7
[M+HCOO]- 296.949361 153.5
[M+CH3COO]- 310.965011 192.0
[M+Na-2H]- 272.925826 147.2
[M]+ 251.95061142 149.8
[M]- 251.95170858 149.8
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