CID 133701256

1361198-02-8

Structural Information

Molecular Formula

C₁₁H₉ClN₂O

SMILES

C1CN2C3=C(C=C(C=C3)Cl)C=C2C(=O)N1

InChI

InChI=1S/C11H9ClN2O/c12-8-1-2-9-7(5-8)6-10-11(15)13-3-4-14(9)10/h1-2,5-6H,3-4H2,(H,13,15)

InChIKey

FEPARWSSWBUKFS-UHFFFAOYSA-N

Compound name

8-chloro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 220.04034 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.04762	144.6
[M+Na]+	243.02956	156.3
[M-H]-	219.03306	146.4
[M+NH4]+	238.07416	164.8
[M+K]+	259.00350	149.7
[M+H-H2O]+	203.03760	138.2
[M+HCOO]-	265.03854	159.1
[M+CH3COO]-	279.05419	157.4
[M+Na-2H]-	241.01501	150.8
[M]+	220.03979	145.1
[M]-	220.04089	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe