CID 5742809

3-chloro-11h-indolo[3,2-c]cinnoline

Structural Information

Molecular Formula
C14H8ClN3
SMILES
C1=CC=C2C(=C1)C3=C(N2)C4=C(C=C(C=C4)Cl)N=N3
InChI
InChI=1S/C14H8ClN3/c15-8-5-6-10-12(7-8)17-18-14-9-3-1-2-4-11(9)16-13(10)14/h1-7,16H
InChIKey
GVEFRNZHNMJVFZ-UHFFFAOYSA-N
Compound name
3-chloro-11H-indolo[3,2-c]cinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.04068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04796 152.4
[M+Na]+ 276.02990 167.0
[M-H]- 252.03340 154.6
[M+NH4]+ 271.07450 171.0
[M+K]+ 292.00384 158.4
[M+H-H2O]+ 236.03794 144.3
[M+HCOO]- 298.03888 168.1
[M+CH3COO]- 312.05453 165.4
[M+Na-2H]- 274.01535 162.7
[M]+ 253.04013 156.9
[M]- 253.04123 156.9
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

No patent data available for this compound.