CID 617168

3,6-dimethoxyphenanthrene

Structural Information

Molecular Formula
C16H14O2
SMILES
COC1=CC2=C(C=CC3=C2C=C(C=C3)OC)C=C1
InChI
InChI=1S/C16H14O2/c1-17-13-7-5-11-3-4-12-6-8-14(18-2)10-16(12)15(11)9-13/h3-10H,1-2H3
InChIKey
FSOLYWGGLXQAMC-UHFFFAOYSA-N
Compound name
3,6-dimethoxyphenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

238.09938 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10666 150.6
[M+Na]+ 261.08860 161.4
[M-H]- 237.09210 156.9
[M+NH4]+ 256.13320 170.9
[M+K]+ 277.06254 157.4
[M+H-H2O]+ 221.09664 143.5
[M+HCOO]- 283.09758 174.3
[M+CH3COO]- 297.11323 164.6
[M+Na-2H]- 259.07405 160.2
[M]+ 238.09883 155.8
[M]- 238.09993 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe