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 149.9
[M+Na]+ 261.06345 158.8
[M-H]- 237.06695 157.1
[M+NH4]+ 256.10805 168.0
[M+K]+ 277.03739 150.4
[M+H-H2O]+ 221.07149 146.6
[M+HCOO]- 283.07243 176.0
[M+CH3COO]- 297.08808 185.9
[M+Na-2H]- 259.04890 159.1
[M]+ 238.07368 149.9
[M]- 238.07478 149.9
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.