CID 77865

5-chloro-1,10-phenanthroline

Structural Information

Molecular Formula
C12H7ClN2
SMILES
C1=CC2=CC(=C3C=CC=NC3=C2N=C1)Cl
InChI
InChI=1S/C12H7ClN2/c13-10-7-8-3-1-5-14-11(8)12-9(10)4-2-6-15-12/h1-7H
InChIKey
XDUUQOQFSWSZSM-UHFFFAOYSA-N
Compound name
5-chloro-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

889
Patents

214.02977 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03705 140.9
[M+Na]+ 237.01899 153.6
[M-H]- 213.02249 144.0
[M+NH4]+ 232.06359 160.1
[M+K]+ 252.99293 147.1
[M+H-H2O]+ 197.02703 133.3
[M+HCOO]- 259.02797 158.2
[M+CH3COO]- 273.04362 154.6
[M+Na-2H]- 235.00444 153.0
[M]+ 214.02922 144.6
[M]- 214.03032 144.6
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