CID 680341

1,10-phenanthroline-2-carbonitrile

Structural Information

Molecular Formula
C13H7N3
SMILES
C1=CC2=C(C3=C(C=C2)C=CC(=N3)C#N)N=C1
InChI
InChI=1S/C13H7N3/c14-8-11-6-5-10-4-3-9-2-1-7-15-12(9)13(10)16-11/h1-7H
InChIKey
LSMQCFPLQFCYAW-UHFFFAOYSA-N
Compound name
1,10-phenanthroline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

205.064 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07128 146.1
[M+Na]+ 228.05322 159.4
[M-H]- 204.05672 147.7
[M+NH4]+ 223.09782 162.3
[M+K]+ 244.02716 151.3
[M+H-H2O]+ 188.06126 131.3
[M+HCOO]- 250.06220 163.7
[M+CH3COO]- 264.07785 157.5
[M+Na-2H]- 226.03867 156.4
[M]+ 205.06345 142.2
[M]- 205.06455 142.2
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