CID 99889

9,10-dihydrophenanthrene-9,10-diol

Structural Information

Molecular Formula
C14H12O2
SMILES
C1=CC=C2C(=C1)C(C(C3=CC=CC=C32)O)O
InChI
InChI=1S/C14H12O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8,13-16H
InChIKey
MFXNBQWUTDDOKE-UHFFFAOYSA-N
Compound name
9,10-dihydrophenanthrene-9,10-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

39
Patents

212.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 143.1
[M+Na]+ 235.07294 152.0
[M-H]- 211.07644 146.3
[M+NH4]+ 230.11754 162.9
[M+K]+ 251.04688 147.0
[M+H-H2O]+ 195.08098 137.3
[M+HCOO]- 257.08192 161.6
[M+CH3COO]- 271.09757 155.7
[M+Na-2H]- 233.05839 151.2
[M]+ 212.08317 141.3
[M]- 212.08427 141.3
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