CID 124515

93939-74-3

Structural Information

Molecular Formula
C8H8FNO2
SMILES
C1=CC(=CC=C1[C@H](C(=O)O)N)F
InChI
InChI=1S/C8H8FNO2/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)/t7-/m1/s1
InChIKey
JKFYKCYQEWQPTM-SSDOTTSWSA-N
Compound name
(2R)-2-amino-2-(4-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

882
Patents

169.05391 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06119 132.5
[M+Na]+ 192.04313 139.7
[M-H]- 168.04663 133.3
[M+NH4]+ 187.08773 151.6
[M+K]+ 208.01707 137.7
[M+H-H2O]+ 152.05117 126.1
[M+HCOO]- 214.05211 153.9
[M+CH3COO]- 228.06776 178.7
[M+Na-2H]- 190.02858 136.1
[M]+ 169.05336 128.5
[M]- 169.05446 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe