CID 118799025

5565-76-4

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
C1C=C2C(C(=O)N1)NC3=C2C=CC=C3Cl
InChI
InChI=1S/C11H9ClN2O/c12-8-3-1-2-6-7-4-5-13-11(15)10(7)14-9(6)8/h1-4,10,14H,5H2,(H,13,15)
InChIKey
SXQXFBWPESOCKS-UHFFFAOYSA-N
Compound name
8-chloro-2,3,9,9a-tetrahydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04034 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04762 144.5
[M+Na]+ 243.02956 158.3
[M+NH4]+ 238.07416 153.7
[M+K]+ 259.00350 152.6
[M-H]- 219.03306 145.7
[M+Na-2H]- 241.01501 148.8
[M]+ 220.03979 147.0
[M]- 220.04089 147.0
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.