CID 72790

5-nitro-1,10-phenanthroline

Structural Information

Molecular Formula
C12H7N3O2
SMILES
C1=CC2=CC(=C3C=CC=NC3=C2N=C1)[N+](=O)[O-]
InChI
InChI=1S/C12H7N3O2/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12/h1-7H
InChIKey
PDDBTWXLNJNICS-UHFFFAOYSA-N
Compound name
5-nitro-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

30
References

915
Patents

225.05383 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06111 143.0
[M+Na]+ 248.04305 152.8
[M-H]- 224.04655 146.5
[M+NH4]+ 243.08765 159.6
[M+K]+ 264.01699 144.4
[M+H-H2O]+ 208.05109 139.0
[M+HCOO]- 270.05203 165.9
[M+CH3COO]- 284.06768 184.7
[M+Na-2H]- 246.02850 157.0
[M]+ 225.05328 143.3
[M]- 225.05438 143.3
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