CID 19860745

2-(trifluoromethoxy)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H4F3NO3
SMILES
C1=CC(=C(N=C1)OC(F)(F)F)C(=O)O
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)14-5-4(6(12)13)2-1-3-11-5/h1-3H,(H,12,13)
InChIKey
XUHDHRKJBUCYSC-UHFFFAOYSA-N
Compound name
2-(trifluoromethoxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

207.01433 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.021606 135.6
[M+Na]+ 230.003548 144.8
[M-H]- 206.007054 133.1
[M+NH4]+ 225.048153 152.4
[M+K]+ 245.977488 142.9
[M+H-H2O]+ 190.011590 127.1
[M+HCOO]- 252.012531 153.1
[M+CH3COO]- 266.028181 180.4
[M+Na-2H]- 227.988996 141.5
[M]+ 207.01378142 132.6
[M]- 207.01487858 132.6
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