CID 84722562

2-(6-chloropyridin-3-yl)-2,2-difluoroacetic acid

Structural Information

Molecular Formula
C7H4ClF2NO2
SMILES
C1=CC(=NC=C1C(C(=O)O)(F)F)Cl
InChI
InChI=1S/C7H4ClF2NO2/c8-5-2-1-4(3-11-5)7(9,10)6(12)13/h1-3H,(H,12,13)
InChIKey
GUCQWXJYYAHXSP-UHFFFAOYSA-N
Compound name
2-(6-chloro-3-pyridinyl)-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

206.98987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.997146 133.9
[M+Na]+ 229.979088 143.9
[M-H]- 205.982594 132.8
[M+NH4]+ 225.023693 151.8
[M+K]+ 245.953028 140.0
[M+H-H2O]+ 189.987130 127.4
[M+HCOO]- 251.988071 147.8
[M+CH3COO]- 266.003721 180.0
[M+Na-2H]- 227.964536 140.1
[M]+ 206.98932142 132.9
[M]- 206.99041858 132.9
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