CID 17766438

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

Structural Information

Molecular Formula
C9H5F3N2O2
SMILES
C1=CC2=C(N=C(N2C=C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C9H5F3N2O2/c10-9(11,12)8-13-6(7(15)16)5-3-1-2-4-14(5)8/h1-4H,(H,15,16)
InChIKey
FSRQRDWXNRRZMD-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

230.03032 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.037596 142.2
[M+Na]+ 253.019538 153.9
[M-H]- 229.023044 140.1
[M+NH4]+ 248.064143 160.0
[M+K]+ 268.993478 150.1
[M+H-H2O]+ 213.027580 133.5
[M+HCOO]- 275.028521 159.6
[M+CH3COO]- 289.044171 185.5
[M+Na-2H]- 251.004986 148.0
[M]+ 230.02977142 140.6
[M]- 230.03086858 140.6
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