CID 11218389

2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

224.98044 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.98772 135.9
[M+Na]+ 247.96966 147.0
[M-H]- 223.97316 133.8
[M+NH4]+ 243.01426 153.3
[M+K]+ 263.94360 142.6
[M+H-H2O]+ 207.97770 128.7
[M+HCOO]- 269.97864 148.7
[M+CH3COO]- 283.99429 183.4
[M+Na-2H]- 245.95511 140.9
[M]+ 224.97989 134.0
[M]- 224.98099 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