CID 47003384

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

Structural Information

Molecular Formula
C10H11F2NO2
SMILES
CC(C1=C(C=CC(=C1)F)F)(C(=O)OC)N
InChI
InChI=1S/C10H11F2NO2/c1-10(13,9(14)15-2)7-5-6(11)3-4-8(7)12/h3-5H,13H2,1-2H3
InChIKey
KTDPBOVEGJOMHD-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(2,5-difluorophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.07579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.083066 143.2
[M+Na]+ 238.065008 151.8
[M-H]- 214.068514 144.4
[M+NH4]+ 233.109613 161.7
[M+K]+ 254.038948 149.7
[M+H-H2O]+ 198.073050 136.0
[M+HCOO]- 260.073991 163.8
[M+CH3COO]- 274.089641 190.0
[M+Na-2H]- 236.050456 147.0
[M]+ 215.07524142 141.1
[M]- 215.07633858 141.1
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.