CID 9465

2-amino-3-(2-fluorophenyl)propanoic acid

Structural Information

Molecular Formula
C9H10FNO2
SMILES
C1=CC=C(C(=C1)CC(C(=O)O)N)F
InChI
InChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKey
NYCRCTMDYITATC-UHFFFAOYSA-N
Compound name
2-amino-3-(2-fluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

5478
Patents

183.06955 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07683 137.2
[M+Na]+ 206.05877 144.0
[M-H]- 182.06227 137.8
[M+NH4]+ 201.10337 155.7
[M+K]+ 222.03271 141.7
[M+H-H2O]+ 166.06681 130.6
[M+HCOO]- 228.06775 158.2
[M+CH3COO]- 242.08340 181.7
[M+Na-2H]- 204.04422 140.3
[M]+ 183.06900 133.5
[M]- 183.07010 133.5
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