CID 14586

9-anthracenecarbonitrile

Structural Information

Molecular Formula
C15H9N
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C#N
InChI
InChI=1S/C15H9N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H
InChIKey
KEQZHLAEKAVZLY-UHFFFAOYSA-N
Compound name
anthracene-9-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

1905
Patents

203.0735 Da
Monoisotopic Mass

4.3
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

literature stripe

Patent stripe

patents stripe