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]+ 259.11174 156.5
[M+Na]+ 281.09368 167.2
[M-H]- 257.09718 163.4
[M+NH4]+ 276.13828 176.6
[M+K]+ 297.06762 161.1
[M+H-H2O]+ 241.10172 148.4
[M+HCOO]- 303.10266 178.4
[M+CH3COO]- 317.11831 169.7
[M+Na-2H]- 279.07913 167.2
[M]+ 258.10391 159.6
[M]- 258.10501 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.