CID 5889

Dibenz[a,h]anthracene

Structural Information

Molecular Formula
C22H14
SMILES
C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32
InChI
InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H
InChIKey
LHRCREOYAASXPZ-UHFFFAOYSA-N
Compound name
naphtho[1,2-b]phenanthrene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

298
References

3823
Patents

278.10956 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.116836 161.7
[M+Na]+ 301.098778 173.3
[M-H]- 277.102284 169.5
[M+NH4]+ 296.143383 181.5
[M+K]+ 317.072718 165.0
[M+H-H2O]+ 261.106820 152.5
[M+HCOO]- 323.107761 183.1
[M+CH3COO]- 337.123411 174.5
[M+Na-2H]- 299.084226 174.3
[M]+ 278.10901142 164.1
[M]- 278.11010858 164.1
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