CID 148323

1,2-epoxy-1,2-dihydrophenanthrene

Structural Information

Molecular Formula
C14H10O
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC4C3O4
InChI
InChI=1S/C14H10O/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-14(12)15-13/h1-8,13-14H
InChIKey
ALTXUIJFJAHUPS-UHFFFAOYSA-N
Compound name
1a,9a-dihydrophenanthro[1,2-b]oxirene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

90
Patents

194.07317 Da
Monoisotopic Mass

3.0
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