CID 11299091

6-chloro-3-(trifluoromethyl)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C7H3ClF3NO2
SMILES
C1=CC(=NC(=C1C(F)(F)F)C(=O)O)Cl
InChI
InChI=1S/C7H3ClF3NO2/c8-4-2-1-3(7(9,10)11)5(12-4)6(13)14/h1-2H,(H,13,14)
InChIKey
RZVKZFMJRHANIF-UHFFFAOYSA-N
Compound name
6-chloro-3-(trifluoromethyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

224.98044 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.987716 135.9
[M+Na]+ 247.969658 147.0
[M-H]- 223.973164 133.8
[M+NH4]+ 243.014263 153.3
[M+K]+ 263.943598 142.6
[M+H-H2O]+ 207.977700 128.7
[M+HCOO]- 269.978641 148.7
[M+CH3COO]- 283.994291 183.4
[M+Na-2H]- 245.955106 140.9
[M]+ 224.97989142 134.0
[M]- 224.98098858 134.0
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