CID 14761453

131747-42-7

Structural Information

Molecular Formula
C7H4F3NO2
SMILES
C1=CC(=NC(=C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-1-2-4(11-5)6(12)13/h1-3H,(H,12,13)
InChIKey
OKBHXGBLXDNJJD-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

940
Patents

191.01941 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.026686 132.6
[M+Na]+ 214.008628 142.0
[M-H]- 190.012134 130.2
[M+NH4]+ 209.053233 150.2
[M+K]+ 229.982568 139.5
[M+H-H2O]+ 174.016670 124.4
[M+HCOO]- 236.017611 149.9
[M+CH3COO]- 250.033261 178.3
[M+Na-2H]- 211.994076 138.5
[M]+ 191.01886142 128.2
[M]- 191.01995858 128.2
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