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]+ 204.04668 137.7
[M+Na]+ 226.02862 146.2
[M-H]- 202.03212 136.4
[M+NH4]+ 221.07322 155.1
[M+K]+ 242.00256 143.6
[M+H-H2O]+ 186.03666 130.7
[M+HCOO]- 248.03760 156.6
[M+CH3COO]- 262.05325 183.7
[M+Na-2H]- 224.01407 138.8
[M]+ 203.03885 132.8
[M]- 203.03995 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.