CID 67021638

Methyl 2-(4-amino-2,6-dichlorophenyl)acetate

Structural Information

Molecular Formula
C9H9Cl2NO2
SMILES
COC(=O)CC1=C(C=C(C=C1Cl)N)Cl
InChI
InChI=1S/C9H9Cl2NO2/c1-14-9(13)4-6-7(10)2-5(12)3-8(6)11/h2-3H,4,12H2,1H3
InChIKey
CGTBRJDCBUVUBG-UHFFFAOYSA-N
Compound name
methyl 2-(4-amino-2,6-dichlorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

233.00104 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.00832 145.0
[M+Na]+ 255.99026 155.5
[M-H]- 231.99376 148.3
[M+NH4]+ 251.03486 164.4
[M+K]+ 271.96420 150.7
[M+H-H2O]+ 215.99830 141.4
[M+HCOO]- 277.99924 160.0
[M+CH3COO]- 292.01489 190.8
[M+Na-2H]- 253.97571 147.9
[M]+ 233.00049 148.9
[M]- 233.00159 148.9
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