CID 21948196

2,6-dichloro-4-(trifluoromethyl)nicotinic acid

Structural Information

Molecular Formula
C7H2Cl2F3NO2
SMILES
C1=C(C(=C(N=C1Cl)Cl)C(=O)O)C(F)(F)F
InChI
InChI=1S/C7H2Cl2F3NO2/c8-3-1-2(7(10,11)12)4(6(14)15)5(9)13-3/h1H,(H,14,15)
InChIKey
PZBCYMXYIZQNFE-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

258.94147 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.94875 139.2
[M+Na]+ 281.93069 151.4
[M-H]- 257.93419 136.8
[M+NH4]+ 276.97529 155.9
[M+K]+ 297.90463 145.7
[M+H-H2O]+ 241.93873 133.0
[M+HCOO]- 303.93967 147.0
[M+CH3COO]- 317.95532 189.2
[M+Na-2H]- 279.91614 142.9
[M]+ 258.94092 138.8
[M]- 258.94202 138.8
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