CID 90988

Dichlorprop-methyl

Structural Information

Molecular Formula
C10H10Cl2O3
SMILES
CC(C(=O)OC)OC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H10Cl2O3/c1-6(10(13)14-2)15-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3
InChIKey
SCHCPDWDIOTCMJ-UHFFFAOYSA-N
Compound name
methyl 2-(2,4-dichlorophenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

901
Patents

248.0007 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.00798 145.6
[M+Na]+ 270.98992 155.4
[M-H]- 246.99342 149.2
[M+NH4]+ 266.03452 164.7
[M+K]+ 286.96386 151.8
[M+H-H2O]+ 230.99796 141.9
[M+HCOO]- 292.99890 159.3
[M+CH3COO]- 307.01455 191.3
[M+Na-2H]- 268.97537 148.6
[M]+ 248.00015 152.2
[M]- 248.00125 152.2
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