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 164.8
[M+Na]+ 329.05082 176.0
[M-H]- 305.05432 165.9
[M+NH4]+ 324.09542 179.2
[M+K]+ 345.02476 170.1
[M+H-H2O]+ 289.05886 154.4
[M+HCOO]- 351.05980 181.4
[M+CH3COO]- 365.07545 200.5
[M+Na-2H]- 327.03627 168.9
[M]+ 306.06105 163.3
[M]- 306.06215 163.3
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.