CID 355193

2-chloro-1,10-phenanthroline

Structural Information

Molecular Formula
C12H7ClN2
SMILES
C1=CC2=C(C3=C(C=C2)C=CC(=N3)Cl)N=C1
InChI
InChI=1S/C12H7ClN2/c13-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10/h1-7H
InChIKey
JHRMQHFRVPVGHL-UHFFFAOYSA-N
Compound name
2-chloro-1,10-phenanthroline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

271
Patents

214.02977 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.037046 140.9
[M+Na]+ 237.018988 153.6
[M-H]- 213.022494 144.0
[M+NH4]+ 232.063593 160.1
[M+K]+ 252.992928 147.1
[M+H-H2O]+ 197.027030 133.3
[M+HCOO]- 259.027971 158.2
[M+CH3COO]- 273.043621 154.6
[M+Na-2H]- 235.004436 153.0
[M]+ 214.02922142 144.6
[M]- 214.03031858 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