CID 55273319

1132107-82-4

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

4
Patents

185.04883 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05611 135.6
[M+Na]+ 208.03805 143.2
[M-H]- 184.04155 135.3
[M+NH4]+ 203.08265 153.5
[M+K]+ 224.01199 140.9
[M+H-H2O]+ 168.04609 129.3
[M+HCOO]- 230.04703 155.6
[M+CH3COO]- 244.06268 179.7
[M+Na-2H]- 206.02350 137.9
[M]+ 185.04828 131.5
[M]- 185.04938 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