CID 57370570

Spiro[oxirane-2,5'(6'h)-[4,7]phenanthroline]

Structural Information

Molecular Formula
C13H10N2O
SMILES
C1C2=C(C=CC=N2)C3=C(C14CO4)N=CC=C3
InChI
InChI=1S/C13H10N2O/c1-3-9-10-4-2-6-15-12(10)13(8-16-13)7-11(9)14-5-1/h1-6H,7-8H2
InChIKey
FWRZHGXFKWGHCP-UHFFFAOYSA-N
Compound name
spiro[5H-4,7-phenanthroline-6,2'-oxirane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.07932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08660 153.5
[M+Na]+ 233.06854 165.5
[M-H]- 209.07204 159.6
[M+NH4]+ 228.11314 167.6
[M+K]+ 249.04248 162.3
[M+H-H2O]+ 193.07658 144.3
[M+HCOO]- 255.07752 171.3
[M+CH3COO]- 269.09317 165.7
[M+Na-2H]- 231.05399 164.9
[M]+ 210.07877 155.8
[M]- 210.07987 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.