CID 346942

2-(3-nitrophenyl)indolizine

Structural Information

Molecular Formula
C14H10N2O2
SMILES
C1=CC2=CC(=CN2C=C1)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H10N2O2/c17-16(18)14-6-3-4-11(8-14)12-9-13-5-1-2-7-15(13)10-12/h1-10H
InChIKey
WDNGCEBMFLHBOX-UHFFFAOYSA-N
Compound name
2-(3-nitrophenyl)indolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.07423 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08151 148.9
[M+Na]+ 261.06345 165.7
[M+NH4]+ 256.10805 158.6
[M+K]+ 277.03739 161.7
[M-H]- 237.06695 155.2
[M+Na-2H]- 259.04890 159.0
[M]+ 238.07368 153.2
[M]- 238.07478 153.2
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.