CID 61650157

Methyl 2-amino-2-(4-chloro-3-fluorophenyl)acetate

Structural Information

Molecular Formula
C9H9ClFNO2
SMILES
COC(=O)C(C1=CC(=C(C=C1)Cl)F)N
InChI
InChI=1S/C9H9ClFNO2/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4,8H,12H2,1H3
InChIKey
YULZAFXHGRLNKD-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(4-chloro-3-fluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.03058 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.037856 141.7
[M+Na]+ 240.019798 150.8
[M-H]- 216.023304 144.0
[M+NH4]+ 235.064403 160.9
[M+K]+ 255.993738 147.4
[M+H-H2O]+ 200.027840 136.1
[M+HCOO]- 262.028781 159.8
[M+CH3COO]- 276.044431 188.6
[M+Na-2H]- 238.005246 144.3
[M]+ 217.03003142 142.4
[M]- 217.03112858 142.4
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