CID 439929

Phenanthrene-3,4-diol

Structural Information

Molecular Formula
C14H10O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C(=C(C=C3)O)O
InChI
InChI=1S/C14H10O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h1-8,15-16H
InChIKey
RLZZZVKAURTHCP-UHFFFAOYSA-N
Compound name
phenanthrene-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

408
References

8987
Patents

210.06808 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07536 141.2
[M+Na]+ 233.05730 152.2
[M-H]- 209.06080 145.3
[M+NH4]+ 228.10190 161.4
[M+K]+ 249.03124 146.8
[M+H-H2O]+ 193.06534 135.4
[M+HCOO]- 255.06628 162.7
[M+CH3COO]- 269.08193 154.9
[M+Na-2H]- 231.04275 151.3
[M]+ 210.06753 142.3
[M]- 210.06863 142.3
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