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]+ 220.02722 142.3
[M+Na]+ 242.00916 156.1
[M-H]- 218.01266 142.3
[M+NH4]+ 237.05376 160.7
[M+K]+ 257.98310 148.4
[M+H-H2O]+ 202.01720 135.6
[M+HCOO]- 264.01814 157.1
[M+CH3COO]- 278.03379 155.2
[M+Na-2H]- 239.99461 150.7
[M]+ 219.01939 144.1
[M]- 219.02049 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.