CID 620661

2,2'-(anthracene-9,10-diyl)diacetonitrile

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 186.6
[M+Na]+ 279.08926 198.2
[M+NH4]+ 274.13386 188.6
[M+K]+ 295.06320 184.6
[M-H]- 255.09276 178.6
[M+Na-2H]- 277.07471 186.9
[M]+ 256.09949 185.0
[M]- 256.10059 185.0
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

patents stripe