CID 443196

Phenanthrene-9,10-oxide

Structural Information

Molecular Formula
C14H10O
SMILES
C1=CC=C2C(=C1)[C@H]3[C@H](O3)C4=CC=CC=C42
InChI
InChI=1S/C14H10O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13(11)15-14/h1-8,13-14H/t13-,14+
InChIKey
PXPGRGGVENWVBD-OKILXGFUSA-N
Compound name
(1aR,9bS)-1a,9b-dihydrophenanthro[9,10-b]oxirene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

14
Patents

194.07317 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08045 138.7
[M+Na]+ 217.06239 150.6
[M-H]- 193.06589 146.7
[M+NH4]+ 212.10699 155.3
[M+K]+ 233.03633 147.1
[M+H-H2O]+ 177.07043 131.8
[M+HCOO]- 239.07137 158.9
[M+CH3COO]- 253.08702 152.6
[M+Na-2H]- 215.04784 150.3
[M]+ 194.07262 142.6
[M]- 194.07372 142.6
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