CID 5272709

1-[2-[4-(trifluoromethoxy)phenyl]indolizin-3-yl]ethanone

Structural Information

Molecular Formula
C17H12F3NO2
SMILES
CC(=O)C1=C(C=C2N1C=CC=C2)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C17H12F3NO2/c1-11(22)16-15(10-13-4-2-3-9-21(13)16)12-5-7-14(8-6-12)23-17(18,19)20/h2-10H,1H3
InChIKey
TVXYKWIVUZLPQE-UHFFFAOYSA-N
Compound name
1-[2-[4-(trifluoromethoxy)phenyl]indolizin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.082 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08928 169.6
[M+Na]+ 342.07122 180.5
[M-H]- 318.07472 173.2
[M+NH4]+ 337.11582 185.6
[M+K]+ 358.04516 175.1
[M+H-H2O]+ 302.07926 159.5
[M+HCOO]- 364.08020 188.4
[M+CH3COO]- 378.09585 206.2
[M+Na-2H]- 340.05667 173.1
[M]+ 319.08145 170.1
[M]- 319.08255 170.1
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.