CID 2724992

Benzo[k]fluoranthene-7,12-dicarbonitrile

Structural Information

Molecular Formula
C22H10N2
SMILES
C1=CC=C2C(=C1)C(=C3C4=CC=CC5=C4C(=CC=C5)C3=C2C#N)C#N
InChI
InChI=1S/C22H10N2/c23-11-18-14-7-1-2-8-15(14)19(12-24)22-17-10-4-6-13-5-3-9-16(20(13)17)21(18)22/h1-10H
InChIKey
OIELEHOHWKWREL-UHFFFAOYSA-N
Compound name
benzo[k]fluoranthene-7,12-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.0844 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09168 199.1
[M+Na]+ 325.07362 211.7
[M+NH4]+ 320.11822 202.0
[M+K]+ 341.04756 198.1
[M-H]- 301.07712 191.7
[M+Na-2H]- 323.05907 198.2
[M]+ 302.08385 198.0
[M]- 302.08495 198.0
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