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 146.0
[M+Na]+ 243.02956 156.3
[M-H]- 219.03306 146.1
[M+NH4]+ 238.07416 165.4
[M+K]+ 259.00350 149.1
[M+H-H2O]+ 203.03760 140.0
[M+HCOO]- 265.03854 157.5
[M+CH3COO]- 279.05419 157.6
[M+Na-2H]- 241.01501 150.9
[M]+ 220.03979 143.3
[M]- 220.04089 143.3
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.