CID 24700057

Methyl 2-(4-amino-2-chlorophenoxy)acetate

Structural Information

Molecular Formula
C9H10ClNO3
SMILES
COC(=O)COC1=C(C=C(C=C1)N)Cl
InChI
InChI=1S/C9H10ClNO3/c1-13-9(12)5-14-8-3-2-6(11)4-7(8)10/h2-4H,5,11H2,1H3
InChIKey
GQAZDIURYMTMFE-UHFFFAOYSA-N
Compound name
methyl 2-(4-amino-2-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.03493 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04221 142.2
[M+Na]+ 238.02415 151.4
[M-H]- 214.02765 145.9
[M+NH4]+ 233.06875 161.5
[M+K]+ 253.99809 148.6
[M+H-H2O]+ 198.03219 137.2
[M+HCOO]- 260.03313 162.6
[M+CH3COO]- 274.04878 187.1
[M+Na-2H]- 236.00960 146.6
[M]+ 215.03438 146.1
[M]- 215.03548 146.1
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

No patent data available for this compound.