CID 25082926

93776-83-1

Structural Information

Molecular Formula
C12H6ClNO2
SMILES
C1=CC=C2C(=C1)C=C3C(=C2Cl)NC(=O)C3=O
InChI
InChI=1S/C12H6ClNO2/c13-9-7-4-2-1-3-6(7)5-8-10(9)14-12(16)11(8)15/h1-5H,(H,14,15,16)
InChIKey
WVMGTTTWIITCGU-UHFFFAOYSA-N
Compound name
9-chloro-1H-benzo[f]indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.00871 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.015986 146.1
[M+Na]+ 253.997928 158.6
[M-H]- 230.001434 149.8
[M+NH4]+ 249.042533 167.4
[M+K]+ 269.971868 151.9
[M+H-H2O]+ 214.005970 141.1
[M+HCOO]- 276.006911 162.1
[M+CH3COO]- 290.022561 159.7
[M+Na-2H]- 251.983376 151.5
[M]+ 231.00816142 147.8
[M]- 231.00925858 147.8
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.