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

3
Patents

171.06842 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 132.7
[M+Na]+ 194.05764 142.8
[M-H]- 170.06114 135.4
[M+NH4]+ 189.10224 155.6
[M+K]+ 210.03158 138.2
[M+H-H2O]+ 154.06568 127.0
[M+HCOO]- 216.06662 153.5
[M+CH3COO]- 230.08227 146.6
[M+Na-2H]- 192.04309 141.0
[M]+ 171.06787 132.4
[M]- 171.06897 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