CID 5272702

4-indolizin-2-ylbenzonitrile

Structural Information

Molecular Formula
C15H10N2
SMILES
C1=CC2=CC(=CN2C=C1)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C15H10N2/c16-10-12-4-6-13(7-5-12)14-9-15-3-1-2-8-17(15)11-14/h1-9,11H
InChIKey
XKJCWOAFCIZGOV-UHFFFAOYSA-N
Compound name
4-indolizin-2-ylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

218.0844 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09168 152.9
[M+Na]+ 241.07362 165.9
[M-H]- 217.07712 158.0
[M+NH4]+ 236.11822 170.7
[M+K]+ 257.04756 157.5
[M+H-H2O]+ 201.08166 138.5
[M+HCOO]- 263.08260 173.6
[M+CH3COO]- 277.09825 164.9
[M+Na-2H]- 239.05907 159.0
[M]+ 218.08385 149.0
[M]- 218.08495 149.0
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.