CID 67222

Benz[cd]indol-2(1h)-one

Structural Information

Molecular Formula
C11H7NO
SMILES
C1=CC2=C3C(=C1)C(=O)NC3=CC=C2
InChI
InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)
InChIKey
GPYLCFQEKPUWLD-UHFFFAOYSA-N
Compound name
1H-benzo[cd]indol-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

2793
Patents

169.05276 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06004 132.4
[M+Na]+ 192.04198 146.6
[M+NH4]+ 187.08658 142.6
[M+K]+ 208.01592 140.8
[M-H]- 168.04548 134.5
[M+Na-2H]- 190.02743 138.3
[M]+ 169.05221 135.0
[M]- 169.05331 135.0
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

patents stripe