CID 108063

Naphthalene 1,2-oxide

Structural Information

Molecular Formula
C10H8O
SMILES
C1=CC=C2C3C(O3)C=CC2=C1
InChI
InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H
InChIKey
XQIJIALOJPIKGX-UHFFFAOYSA-N
Compound name
1a,7b-dihydronaphtho[1,2-b]oxirene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

525
Patents

144.05751 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.064786 126.1
[M+Na]+ 167.046728 137.6
[M-H]- 143.050234 133.5
[M+NH4]+ 162.091333 143.8
[M+K]+ 183.020668 135.7
[M+H-H2O]+ 127.054770 120.0
[M+HCOO]- 189.055711 148.1
[M+CH3COO]- 203.071361 140.9
[M+Na-2H]- 165.032176 138.0
[M]+ 144.05696142 129.8
[M]- 144.05805858 129.8
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