CID 355233

7656-31-7

Structural Information

Molecular Formula
C9H10FNO3
SMILES
C1=CC(=C(C=C1O)F)CC(C(=O)O)N
InChI
InChI=1S/C9H10FNO3/c10-7-4-6(12)2-1-5(7)3-8(11)9(13)14/h1-2,4,8,12H,3,11H2,(H,13,14)
InChIKey
WEJIXBMNLWITCR-UHFFFAOYSA-N
Compound name
2-amino-3-(2-fluoro-4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

53
Patents

199.06447 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07175 141.2
[M+Na]+ 222.05369 150.1
[M+NH4]+ 217.09829 146.8
[M+K]+ 238.02763 146.8
[M-H]- 198.05719 139.8
[M+Na-2H]- 220.03914 144.4
[M]+ 199.06392 141.5
[M]- 199.06502 141.5
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