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]+ 218.03786 141.7
[M+Na]+ 240.01980 150.8
[M-H]- 216.02330 144.0
[M+NH4]+ 235.06440 160.9
[M+K]+ 255.99374 147.4
[M+H-H2O]+ 200.02784 136.1
[M+HCOO]- 262.02878 159.8
[M+CH3COO]- 276.04443 188.6
[M+Na-2H]- 238.00525 144.3
[M]+ 217.03003 142.4
[M]- 217.03113 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