CID 5272704

2-[4-(trifluoromethoxy)phenyl]indolizine

Structural Information

Molecular Formula
C15H10F3NO
SMILES
C1=CC2=CC(=CN2C=C1)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C15H10F3NO/c16-15(17,18)20-14-6-4-11(5-7-14)12-9-13-3-1-2-8-19(13)10-12/h1-10H
InChIKey
ROEVYNVHHFOKCA-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethoxy)phenyl]indolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.07144 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07872 157.9
[M+Na]+ 300.06066 169.0
[M-H]- 276.06416 161.3
[M+NH4]+ 295.10526 175.6
[M+K]+ 316.03460 163.5
[M+H-H2O]+ 260.06870 147.9
[M+HCOO]- 322.06964 178.0
[M+CH3COO]- 336.08529 170.4
[M+Na-2H]- 298.04611 164.1
[M]+ 277.07089 157.3
[M]- 277.07199 157.3
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.