CID 6410597

9h-indeno(2,1-c)pyridazine, 3-chloro-

Structural Information

Molecular Formula

C₁₁H₇ClN₂

SMILES

C1C2=CC=CC=C2C3=CC(=NN=C31)Cl

InChI

InChI=1S/C11H7ClN2/c12-11-6-9-8-4-2-1-3-7(8)5-10(9)13-14-11/h1-4,6H,5H2

InChIKey

AXWBHIJBRSSAKJ-UHFFFAOYSA-N

Compound name

3-chloro-9H-indeno[2,1-c]pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.02977 Da
Monoisotopic Mass: 2.5
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]+	203.037046	140.0
[M+Na]+	225.018988	152.1
[M-H]-	201.022494	143.1
[M+NH4]+	220.063593	161.5
[M+K]+	240.992928	146.3
[M+H-H2O]+	185.027030	133.1
[M+HCOO]-	247.027971	157.1
[M+CH3COO]-	261.043621	153.9
[M+Na-2H]-	223.004436	148.4
[M]+	202.02922142	142.7
[M]-	202.03031858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe