CID 201324

1h-benzo[f]indole-2,3-dione

Structural Information

Molecular Formula
C12H7NO2
SMILES
C1=CC=C2C=C3C(=CC2=C1)C(=O)C(=O)N3
InChI
InChI=1S/C12H7NO2/c14-11-9-5-7-3-1-2-4-8(7)6-10(9)13-12(11)15/h1-6H,(H,13,14,15)
InChIKey
XHORCFOVPVATAY-UHFFFAOYSA-N
Compound name
1H-benzo[f]indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

197.04768 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05496 138.6
[M+Na]+ 220.03690 149.4
[M-H]- 196.04040 142.2
[M+NH4]+ 215.08150 160.2
[M+K]+ 236.01084 144.3
[M+H-H2O]+ 180.04494 132.8
[M+HCOO]- 242.04588 159.3
[M+CH3COO]- 256.06153 152.4
[M+Na-2H]- 218.02235 145.3
[M]+ 197.04713 137.8
[M]- 197.04823 137.8
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

patents stripe