CID 501296

5-chloro-1h-benzo[f]indazole-4,9-dione

Structural Information

Molecular Formula
C11H5ClN2O2
SMILES
C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C2=O)NN=C3
InChI
InChI=1S/C11H5ClN2O2/c12-7-3-1-2-5-8(7)10(15)6-4-13-14-9(6)11(5)16/h1-4H,(H,13,14)
InChIKey
PUUPZROXMMYBNL-UHFFFAOYSA-N
Compound name
5-chloro-1H-benzo[f]indazole-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

232.00395 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.01123 146.3
[M+Na]+ 254.99317 159.1
[M-H]- 230.99667 148.6
[M+NH4]+ 250.03777 166.1
[M+K]+ 270.96711 152.6
[M+H-H2O]+ 215.00121 140.3
[M+HCOO]- 277.00215 161.1
[M+CH3COO]- 291.01780 159.4
[M+Na-2H]- 252.97862 152.0
[M]+ 232.00340 148.0
[M]- 232.00450 148.0
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.