CID 22185152

1421603-45-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

173.02884 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03612 130.2
[M+Na]+ 196.01806 138.5
[M-H]- 172.02156 128.8
[M+NH4]+ 191.06266 148.2
[M+K]+ 211.99200 136.5
[M+H-H2O]+ 156.02610 122.8
[M+HCOO]- 218.02704 148.6
[M+CH3COO]- 232.04269 175.0
[M+Na-2H]- 194.00351 137.4
[M]+ 173.02829 126.7
[M]- 173.02939 126.7
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