CID 20536463

3-(4-amino-3-fluorophenyl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C9H10FNO2
SMILES
C1=CC(=C(C=C1CCC(=O)O)F)N
InChI
InChI=1S/C9H10FNO2/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1,3,5H,2,4,11H2,(H,12,13)
InChIKey
YJGVHBJUBRNLCR-UHFFFAOYSA-N
Compound name
3-(4-amino-3-fluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

183.06955 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07683 136.4
[M+Na]+ 206.05877 144.4
[M-H]- 182.06227 137.4
[M+NH4]+ 201.10337 155.4
[M+K]+ 222.03271 141.7
[M+H-H2O]+ 166.06681 130.0
[M+HCOO]- 228.06775 158.5
[M+CH3COO]- 242.08340 182.0
[M+Na-2H]- 204.04422 140.1
[M]+ 183.06900 133.8
[M]- 183.07010 133.8
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

patents stripe