CID 263303

2-methoxybenzo[c]phenanthrene

Structural Information

Molecular Formula
C19H14O
SMILES
COC1=CC2=C(C=CC3=C2C4=CC=CC=C4C=C3)C=C1
InChI
InChI=1S/C19H14O/c1-20-16-11-10-14-7-9-15-8-6-13-4-2-3-5-17(13)19(15)18(14)12-16/h2-12H,1H3
InChIKey
QLGPQVIOCQBYIQ-UHFFFAOYSA-N
Compound name
2-methoxybenzo[c]phenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10446 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.111736 156.5
[M+Na]+ 281.093678 167.2
[M-H]- 257.097184 163.4
[M+NH4]+ 276.138283 176.6
[M+K]+ 297.067618 161.1
[M+H-H2O]+ 241.101720 148.4
[M+HCOO]- 303.102661 178.4
[M+CH3COO]- 317.118311 169.7
[M+Na-2H]- 279.079126 167.2
[M]+ 258.10391142 159.6
[M]- 258.10500858 159.6
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.