CID 77696

Benzo[c]phenanthrene, 1,12-dimethyl-

Structural Information

Molecular Formula
C20H16
SMILES
CC1=C2C(=CC=C1)C=CC3=C2C4=C(C=CC=C4C=C3)C
InChI
InChI=1S/C20H16/c1-13-5-3-7-15-9-11-17-12-10-16-8-4-6-14(2)19(16)20(17)18(13)15/h3-12H,1-2H3
InChIKey
IXANOVMXMUKUEE-UHFFFAOYSA-N
Compound name
1,12-dimethylbenzo[c]phenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.1252 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13248 157.8
[M+Na]+ 279.11442 169.1
[M-H]- 255.11792 164.9
[M+NH4]+ 274.15902 178.3
[M+K]+ 295.08836 162.2
[M+H-H2O]+ 239.12246 149.9
[M+HCOO]- 301.12340 179.1
[M+CH3COO]- 315.13905 171.1
[M+Na-2H]- 277.09987 167.2
[M]+ 256.12465 160.2
[M]- 256.12575 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

No patent data available for this compound.