CID 17279

9-cyanophenanthrene

Structural Information

Molecular Formula
C15H9N
SMILES
C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C#N
InChI
InChI=1S/C15H9N/c16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-9H
InChIKey
CWFIYYOQYVYBPW-UHFFFAOYSA-N
Compound name
phenanthrene-9-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

213
Patents

203.0735 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08078 149.3
[M+Na]+ 226.06272 162.7
[M-H]- 202.06622 154.1
[M+NH4]+ 221.10732 168.5
[M+K]+ 242.03666 153.8
[M+H-H2O]+ 186.07076 136.6
[M+HCOO]- 248.07170 169.2
[M+CH3COO]- 262.08735 161.6
[M+Na-2H]- 224.04817 158.6
[M]+ 203.07295 145.5
[M]- 203.07405 145.5
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.