CID 620661

62806-30-8

Structural Information

Molecular Formula
C18H12N2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CC#N)CC#N
InChI
InChI=1S/C18H12N2/c19-11-9-17-13-5-1-2-6-14(13)18(10-12-20)16-8-4-3-7-15(16)17/h1-8H,9-10H2
InChIKey
DVOPOFKLZRECLO-UHFFFAOYSA-N
Compound name
2-[10-(cyanomethyl)anthracen-9-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

256.10004 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10732 175.0
[M+Na]+ 279.08926 187.9
[M-H]- 255.09276 178.8
[M+NH4]+ 274.13386 187.6
[M+K]+ 295.06320 177.3
[M+H-H2O]+ 239.09730 159.6
[M+HCOO]- 301.09824 186.8
[M+CH3COO]- 315.11389 182.1
[M+Na-2H]- 277.07471 178.2
[M]+ 256.09949 168.4
[M]- 256.10059 168.4
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

patents stripe