CID 43547

1-methoxyphenanthrene

Structural Information

Molecular Formula
C15H12O
SMILES
COC1=CC=CC2=C1C=CC3=CC=CC=C32
InChI
InChI=1S/C15H12O/c1-16-15-8-4-7-13-12-6-3-2-5-11(12)9-10-14(13)15/h2-10H,1H3
InChIKey
ONMKCYMMGBIVPT-UHFFFAOYSA-N
Compound name
1-methoxyphenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

131
Patents

208.08882 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.096096 142.2
[M+Na]+ 231.078038 152.8
[M-H]- 207.081544 148.4
[M+NH4]+ 226.122643 163.6
[M+K]+ 247.051978 148.2
[M+H-H2O]+ 191.086080 135.5
[M+HCOO]- 253.087021 166.1
[M+CH3COO]- 267.102671 156.6
[M+Na-2H]- 229.063486 153.2
[M]+ 208.08827142 145.3
[M]- 208.08936858 145.3
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