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

10
Patents

207.01433 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02161 135.6
[M+Na]+ 230.00355 144.8
[M-H]- 206.00705 133.1
[M+NH4]+ 225.04815 152.4
[M+K]+ 245.97749 142.9
[M+H-H2O]+ 190.01159 127.1
[M+HCOO]- 252.01253 153.1
[M+CH3COO]- 266.02818 180.4
[M+Na-2H]- 227.98900 141.5
[M]+ 207.01378 132.6
[M]- 207.01488 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