CID 55273319

2-amino-2-(2-fluoro-4-hydroxyphenyl)acetic acid

Structural Information

Molecular Formula
C8H8FNO3
SMILES
C1=CC(=C(C=C1O)F)C(C(=O)O)N
InChI
InChI=1S/C8H8FNO3/c9-6-3-4(11)1-2-5(6)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)
InChIKey
PCSXVWKMSLYKME-UHFFFAOYSA-N
Compound name
2-amino-2-(2-fluoro-4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

185.04883 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.056106 135.6
[M+Na]+ 208.038048 143.2
[M-H]- 184.041554 135.3
[M+NH4]+ 203.082653 153.5
[M+K]+ 224.011988 140.9
[M+H-H2O]+ 168.046090 129.3
[M+HCOO]- 230.047031 155.6
[M+CH3COO]- 244.062681 179.7
[M+Na-2H]- 206.023496 137.9
[M]+ 185.04828142 131.5
[M]- 185.04937858 131.5
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