CID 16782485

5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H5ClF3NO3
SMILES
C1=C(C=NC(=C1Cl)OCC(F)(F)F)C(=O)O
InChI
InChI=1S/C8H5ClF3NO3/c9-5-1-4(7(14)15)2-13-6(5)16-3-8(10,11)12/h1-2H,3H2,(H,14,15)
InChIKey
JRQLNFZESQUFOU-UHFFFAOYSA-N
Compound name
5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

254.99101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99829 143.3
[M+Na]+ 277.98023 153.8
[M-H]- 253.98373 141.0
[M+NH4]+ 273.02483 159.4
[M+K]+ 293.95417 149.8
[M+H-H2O]+ 237.98827 135.7
[M+HCOO]- 299.98921 156.1
[M+CH3COO]- 314.00486 188.4
[M+Na-2H]- 275.96568 147.8
[M]+ 254.99046 143.2
[M]- 254.99156 143.2
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