CID 130095649

4-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C7H4ClF2NO2
SMILES
C1=CN=C(C(=C1Cl)C(F)F)C(=O)O
InChI
InChI=1S/C7H4ClF2NO2/c8-3-1-2-11-5(7(12)13)4(3)6(9)10/h1-2,6H,(H,12,13)
InChIKey
AICXQFIAHLIETQ-UHFFFAOYSA-N
Compound name
4-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 132.8
[M+Na]+ 229.97909 143.1
[M-H]- 205.98259 131.7
[M+NH4]+ 225.02369 150.7
[M+K]+ 245.95303 139.2
[M+H-H2O]+ 189.98713 126.1
[M+HCOO]- 251.98807 147.3
[M+CH3COO]- 266.00372 181.8
[M+Na-2H]- 227.96454 136.4
[M]+ 206.98932 132.1
[M]- 206.99042 132.1
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.