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

35
Patents

238.09938 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.106656 150.6
[M+Na]+ 261.088598 161.4
[M-H]- 237.092104 156.9
[M+NH4]+ 256.133203 170.9
[M+K]+ 277.062538 157.4
[M+H-H2O]+ 221.096640 143.5
[M+HCOO]- 283.097581 174.3
[M+CH3COO]- 297.113231 164.6
[M+Na-2H]- 259.074046 160.2
[M]+ 238.09883142 155.8
[M]- 238.09992858 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