CID 132327513

2126177-07-7

Structural Information

Molecular Formula
C9H9F3N2O
SMILES
C1CCN2C(=C(N=C2C(F)(F)F)C=O)C1
InChI
InChI=1S/C9H9F3N2O/c10-9(11,12)8-13-6(5-15)7-3-1-2-4-14(7)8/h5H,1-4H2
InChIKey
RTLISKBWWALKII-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07398 143.7
[M+Na]+ 241.05592 153.1
[M-H]- 217.05942 141.6
[M+NH4]+ 236.10052 162.5
[M+K]+ 257.02986 149.8
[M+H-H2O]+ 201.06396 134.6
[M+HCOO]- 263.06490 158.9
[M+CH3COO]- 277.08055 186.1
[M+Na-2H]- 239.04137 147.9
[M]+ 218.06615 138.7
[M]- 218.06725 138.7
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.