CID 100610

3-chloro-5h-indeno[1,2-c]pyridazine

Structural Information

Molecular Formula

C₁₁H₇ClN₂

SMILES

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

InChI

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

InChIKey

VJTAUXIOCSMZMH-UHFFFAOYSA-N

Compound name

3-chloro-5H-indeno[1,2-c]pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
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]+	203.03705	140.0
[M+Na]+	225.01899	152.1
[M-H]-	201.02249	143.1
[M+NH4]+	220.06359	161.5
[M+K]+	240.99293	146.3
[M+H-H2O]+	185.02703	133.1
[M+HCOO]-	247.02797	157.1
[M+CH3COO]-	261.04362	153.9
[M+Na-2H]-	223.00444	148.4
[M]+	202.02922	142.7
[M]-	202.03032	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe