CID 135928692

8-chloro-3h,4h,5h-pyridazino[4,5-b]indol-4-one

Structural Information

Molecular Formula
C10H6ClN3O
SMILES
C1=CC2=C(C=C1Cl)C3=C(N2)C(=O)NN=C3
InChI
InChI=1S/C10H6ClN3O/c11-5-1-2-8-6(3-5)7-4-12-14-10(15)9(7)13-8/h1-4,13H,(H,14,15)
InChIKey
NVQBYLIZHUNUDT-UHFFFAOYSA-N
Compound name
8-chloro-3,5-dihydropyridazino[4,5-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.01994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.027216 142.3
[M+Na]+ 242.009158 156.1
[M-H]- 218.012664 142.3
[M+NH4]+ 237.053763 160.7
[M+K]+ 257.983098 148.4
[M+H-H2O]+ 202.017200 135.6
[M+HCOO]- 264.018141 157.1
[M+CH3COO]- 278.033791 155.2
[M+Na-2H]- 239.994606 150.7
[M]+ 219.01939142 144.1
[M]- 219.02048858 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.