CID 84777057

1336947-76-2

Structural Information

Molecular Formula
C8H7F2NO3
SMILES
C1=C(C=C(C(=C1F)C(C(=O)O)N)F)O
InChI
InChI=1S/C8H7F2NO3/c9-4-1-3(12)2-5(10)6(4)7(11)8(13)14/h1-2,7,12H,11H2,(H,13,14)
InChIKey
JICDAXPFFZJNPA-UHFFFAOYSA-N
Compound name
2-amino-2-(2,6-difluoro-4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0394 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.046676 137.7
[M+Na]+ 226.028618 146.2
[M-H]- 202.032124 136.4
[M+NH4]+ 221.073223 155.1
[M+K]+ 242.002558 143.6
[M+H-H2O]+ 186.036660 130.7
[M+HCOO]- 248.037601 156.6
[M+CH3COO]- 262.053251 183.7
[M+Na-2H]- 224.014066 138.8
[M]+ 203.03885142 132.8
[M]- 203.03994858 132.8
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

No patent data available for this compound.