CID 132398949

2-amino-3-(3-fluoro-4-hydroxy-5-nitrophenyl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C9H9FN2O5
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)F)CC(C(=O)O)N
InChI
InChI=1S/C9H9FN2O5/c10-5-1-4(2-6(11)9(14)15)3-7(8(5)13)12(16)17/h1,3,6,13H,2,11H2,(H,14,15)
InChIKey
PCFVXMNPUJDSTR-UHFFFAOYSA-N
Compound name
2-amino-3-(3-fluoro-4-hydroxy-5-nitrophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.04955 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05683 145.5
[M+Na]+ 267.03877 152.1
[M-H]- 243.04227 145.3
[M+NH4]+ 262.08337 160.1
[M+K]+ 283.01271 145.9
[M+H-H2O]+ 227.04681 143.4
[M+HCOO]- 289.04775 166.4
[M+CH3COO]- 303.06340 184.6
[M+Na-2H]- 265.02422 148.4
[M]+ 244.04900 141.0
[M]- 244.05010 141.0
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.