CID 55267813

1000518-01-3

Structural Information

Molecular Formula
C7H5F2NO2
SMILES
C1=C(C=NC(=C1F)CC(=O)O)F
InChI
InChI=1S/C7H5F2NO2/c8-4-1-5(9)6(10-3-4)2-7(11)12/h1,3H,2H2,(H,11,12)
InChIKey
XAIUEYODYSZRDR-UHFFFAOYSA-N
Compound name
2-(3,5-difluoropyridin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

173.02884 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03612 129.1
[M+Na]+ 196.01806 138.9
[M-H]- 172.02156 128.2
[M+NH4]+ 191.06266 147.7
[M+K]+ 211.99200 136.5
[M+H-H2O]+ 156.02610 121.6
[M+HCOO]- 218.02704 149.1
[M+CH3COO]- 232.04269 177.0
[M+Na-2H]- 194.00351 134.2
[M]+ 173.02829 127.0
[M]- 173.02939 127.0
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

patents stripe