CID 94573

Refchem:558497

Structural Information

Molecular Formula
C20H16
SMILES
CC1=CC2=C(C3=CC=CC=C13)C4=CC=CC=C4C(=C2)C
InChI
InChI=1S/C20H16/c1-13-11-15-12-14(2)17-8-4-6-10-19(17)20(15)18-9-5-3-7-16(13)18/h3-12H,1-2H3
InChIKey
PKNNRYLZAYRCOT-UHFFFAOYSA-N
Compound name
5,8-dimethylbenzo[c]phenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.1252 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.132476 157.8
[M+Na]+ 279.114418 169.1
[M-H]- 255.117924 164.9
[M+NH4]+ 274.159023 178.3
[M+K]+ 295.088358 162.2
[M+H-H2O]+ 239.122460 149.9
[M+HCOO]- 301.123401 179.1
[M+CH3COO]- 315.139051 171.1
[M+Na-2H]- 277.099866 167.2
[M]+ 256.12465142 160.2
[M]- 256.12574858 160.2
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