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 191.0
[M+Na]+ 325.07362 206.5
[M-H]- 301.07712 195.2
[M+NH4]+ 320.11822 204.8
[M+K]+ 341.04756 190.4
[M+H-H2O]+ 285.08166 175.5
[M+HCOO]- 347.08260 201.6
[M+CH3COO]- 361.09825 197.5
[M+Na-2H]- 323.05907 192.8
[M]+ 302.08385 185.5
[M]- 302.08495 185.5
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

patents stripe