CID 125458170

1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C15H9F3N2O2
SMILES
C1=CC=C(C(=C1)C2=C3C=CC=CN3C(=N2)C(=O)O)C(F)(F)F
InChI
InChI=1S/C15H9F3N2O2/c16-15(17,18)10-6-2-1-5-9(10)12-11-7-3-4-8-20(11)13(19-12)14(21)22/h1-8H,(H,21,22)
InChIKey
ZZRRYCWLTIPIGF-UHFFFAOYSA-N
Compound name
1-[2-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0616 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06888 166.9
[M+Na]+ 329.05082 177.8
[M+NH4]+ 324.09542 171.6
[M+K]+ 345.02476 174.2
[M-H]- 305.05432 164.4
[M+Na-2H]- 327.03627 172.0
[M]+ 306.06105 167.5
[M]- 306.06215 167.5
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

No patent data available for this compound.