CID 5742816

3-chloro-8-nitro-11h-indolo[3,2-c]cinnoline

Structural Information

Molecular Formula
C14H7ClN4O2
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C3=C(N2)C4=C(C=C(C=C4)Cl)N=N3
InChI
InChI=1S/C14H7ClN4O2/c15-7-1-3-9-12(5-7)17-18-14-10-6-8(19(20)21)2-4-11(10)16-13(9)14/h1-6,16H
InChIKey
FMGYGJULTSEUJZ-UHFFFAOYSA-N
Compound name
3-chloro-8-nitro-11H-indolo[3,2-c]cinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.02576 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.03304 160.6
[M+Na]+ 321.01498 172.8
[M-H]- 297.01848 163.0
[M+NH4]+ 316.05958 176.0
[M+K]+ 336.98892 161.4
[M+H-H2O]+ 281.02302 156.8
[M+HCOO]- 343.02396 176.9
[M+CH3COO]- 357.03961 194.5
[M+Na-2H]- 319.00043 172.2
[M]+ 298.02521 164.0
[M]- 298.02631 164.0
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.