CID 125182

65115-91-5

Structural Information

Molecular Formula
C12H8N2O
SMILES
C1=CC2=C(C3=C(C=CC=N3)C4C2O4)N=C1
InChI
InChI=1S/C12H8N2O/c1-3-7-9(13-5-1)10-8(4-2-6-14-10)12-11(7)15-12/h1-6,11-12H
InChIKey
GGQHROHZSIPVQE-UHFFFAOYSA-N
Compound name
1a,9b-dihydrooxireno[2,3-f][1,10]phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
Patents

196.06366 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07094 147.8
[M+Na]+ 219.05288 160.6
[M-H]- 195.05638 152.9
[M+NH4]+ 214.09748 161.6
[M+K]+ 235.02682 156.4
[M+H-H2O]+ 179.06092 139.1
[M+HCOO]- 241.06186 166.0
[M+CH3COO]- 255.07751 160.5
[M+Na-2H]- 217.03833 159.3
[M]+ 196.06311 151.7
[M]- 196.06421 151.7
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

patents stripe