CID 75465278

2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C10H4F6N2O
SMILES
C1=CC2=C(N=C(N2C=C1)C(F)(F)F)C(=O)C(F)(F)F
InChI
InChI=1S/C10H4F6N2O/c11-9(12,13)7(19)6-5-3-1-2-4-18(5)8(17-6)10(14,15)16/h1-4H
InChIKey
FVBFRGMTFXQOMU-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0228 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03008 152.5
[M+Na]+ 305.01202 164.9
[M-H]- 281.01552 148.0
[M+NH4]+ 300.05662 168.8
[M+K]+ 320.98596 160.3
[M+H-H2O]+ 265.02006 141.3
[M+HCOO]- 327.02100 165.8
[M+CH3COO]- 341.03665 197.4
[M+Na-2H]- 302.99747 157.2
[M]+ 282.02225 147.3
[M]- 282.02335 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.