CID 610364

9-methoxyphenanthrene

Structural Information

Molecular Formula
C15H12O
SMILES
COC1=CC2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C15H12O/c1-16-15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15/h2-10H,1H3
InChIKey
BPGOLTXKNOSDMR-UHFFFAOYSA-N
Compound name
9-methoxyphenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

331
Patents

208.08882 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09610 142.2
[M+Na]+ 231.07804 152.8
[M-H]- 207.08154 148.4
[M+NH4]+ 226.12264 163.6
[M+K]+ 247.05198 148.2
[M+H-H2O]+ 191.08608 135.5
[M+HCOO]- 253.08702 166.1
[M+CH3COO]- 267.10267 156.6
[M+Na-2H]- 229.06349 153.2
[M]+ 208.08827 145.3
[M]- 208.08937 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