CID 2783382

6-chloro-4-(trifluoromethyl)nicotinic acid

Structural Information

Molecular Formula
C7H3ClF3NO2
SMILES
C1=C(C(=CN=C1Cl)C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H3ClF3NO2/c8-5-1-4(7(9,10)11)3(2-12-5)6(13)14/h1-2H,(H,13,14)
InChIKey
BULUOEXUXOKCIG-UHFFFAOYSA-N
Compound name
6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

224.98044 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.98772 142.6
[M+Na]+ 247.96966 152.1
[M+NH4]+ 243.01426 147.4
[M+K]+ 263.94360 148.2
[M-H]- 223.97316 138.0
[M+Na-2H]- 245.95511 146.2
[M]+ 224.97989 142.5
[M]- 224.98099 142.5
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