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]+ 239.081506 149.9
[M+Na]+ 261.063448 158.8
[M-H]- 237.066954 157.1
[M+NH4]+ 256.108053 168.0
[M+K]+ 277.037388 150.4
[M+H-H2O]+ 221.071490 146.6
[M+HCOO]- 283.072431 176.0
[M+CH3COO]- 297.088081 185.9
[M+Na-2H]- 259.048896 159.1
[M]+ 238.07368142 149.9
[M]- 238.07477858 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.