CID 47003387

Methyl 2-amino-2-(2,5-difluorophenyl)acetate hydrochloride

Structural Information

Molecular Formula
C9H9F2NO2
SMILES
COC(=O)C(C1=C(C=CC(=C1)F)F)N
InChI
InChI=1S/C9H9F2NO2/c1-14-9(13)8(12)6-4-5(10)2-3-7(6)11/h2-4,8H,12H2,1H3
InChIKey
BHZBIYYWIUHYAX-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(2,5-difluorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.06013 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06741 139.1
[M+Na]+ 224.04935 147.3
[M-H]- 200.05285 140.1
[M+NH4]+ 219.09395 157.9
[M+K]+ 240.02329 145.6
[M+H-H2O]+ 184.05739 131.5
[M+HCOO]- 246.05833 160.5
[M+CH3COO]- 260.07398 187.5
[M+Na-2H]- 222.03480 141.3
[M]+ 201.05958 136.4
[M]- 201.06068 136.4
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

No patent data available for this compound.