CID 13356522

2731-96-6

Structural Information

Molecular Formula
C11H9NO
SMILES
C1C(=O)CC2=CNC3=CC=CC1=C23
InChI
InChI=1S/C11H9NO/c13-9-4-7-2-1-3-10-11(7)8(5-9)6-12-10/h1-3,6,12H,4-5H2
InChIKey
OHFYTXXSEKNWQH-UHFFFAOYSA-N
Compound name
3,5-dihydro-1H-benzo[cd]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

171.06842 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 132.7
[M+Na]+ 194.057638 142.8
[M-H]- 170.061144 135.4
[M+NH4]+ 189.102243 155.6
[M+K]+ 210.031578 138.2
[M+H-H2O]+ 154.065680 127.0
[M+HCOO]- 216.066621 153.5
[M+CH3COO]- 230.082271 146.6
[M+Na-2H]- 192.043086 141.0
[M]+ 171.06787142 132.4
[M]- 171.06896858 132.4
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