CID 47497

(1r,2r)-1,2-dihydrochrysene-1,2-diol

Structural Information

Molecular Formula
C18H14O2
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=C[C@H]([C@@H]4O)O
InChI
InChI=1S/C18H14O2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-10,17-20H/t17-,18-/m1/s1
InChIKey
BIMJIRFFDLQHJJ-QZTJIDSGSA-N
Compound name
(1R,2R)-1,2-dihydrochrysene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09937 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.106646 155.8
[M+Na]+ 285.088588 166.0
[M-H]- 261.092094 160.2
[M+NH4]+ 280.133193 174.6
[M+K]+ 301.062528 159.4
[M+H-H2O]+ 245.096630 148.8
[M+HCOO]- 307.097571 173.9
[M+CH3COO]- 321.113221 167.9
[M+Na-2H]- 283.074036 164.8
[M]+ 262.09882142 155.7
[M]- 262.09991858 155.7
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

No patent data available for this compound.