CID 85200

Ethyl 3,5-dichloro-4-methoxybenzoate

Structural Information

Molecular Formula
C10H10Cl2O3
SMILES
CCOC(=O)C1=CC(=C(C(=C1)Cl)OC)Cl
InChI
InChI=1S/C10H10Cl2O3/c1-3-15-10(13)6-4-7(11)9(14-2)8(12)5-6/h4-5H,3H2,1-2H3
InChIKey
VKISJJBQCWTCFE-UHFFFAOYSA-N
Compound name
ethyl 3,5-dichloro-4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

248.0007 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.007976 145.5
[M+Na]+ 270.989918 156.5
[M-H]- 246.993424 149.4
[M+NH4]+ 266.034523 164.9
[M+K]+ 286.963858 152.4
[M+H-H2O]+ 230.997960 141.9
[M+HCOO]- 292.998901 160.1
[M+CH3COO]- 307.014551 191.6
[M+Na-2H]- 268.975366 149.0
[M]+ 248.00015142 153.0
[M]- 248.00124858 153.0
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