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]+ 211.086596 153.5
[M+Na]+ 233.068538 165.5
[M-H]- 209.072044 159.6
[M+NH4]+ 228.113143 167.6
[M+K]+ 249.042478 162.3
[M+H-H2O]+ 193.076580 144.3
[M+HCOO]- 255.077521 171.3
[M+CH3COO]- 269.093171 165.7
[M+Na-2H]- 231.053986 164.9
[M]+ 210.07877142 155.8
[M]- 210.07986858 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.