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-chloropyridin-3-yl)-2,2-difluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

206.98987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.99715 133.9
[M+Na]+ 229.97909 143.9
[M-H]- 205.98259 132.8
[M+NH4]+ 225.02369 151.8
[M+K]+ 245.95303 140.0
[M+H-H2O]+ 189.98713 127.4
[M+HCOO]- 251.98807 147.8
[M+CH3COO]- 266.00372 180.0
[M+Na-2H]- 227.96454 140.1
[M]+ 206.98932 132.9
[M]- 206.99042 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