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]+ 249.00798 145.5
[M+Na]+ 270.98992 156.5
[M-H]- 246.99342 149.4
[M+NH4]+ 266.03452 164.9
[M+K]+ 286.96386 152.4
[M+H-H2O]+ 230.99796 141.9
[M+HCOO]- 292.99890 160.1
[M+CH3COO]- 307.01455 191.6
[M+Na-2H]- 268.97537 149.0
[M]+ 248.00015 153.0
[M]- 248.00125 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