CID 12698865

5096-76-4

Structural Information

Molecular Formula
C8H6ClN3
SMILES
C1=CN(C=C1)C2=NN=C(C=C2)Cl
InChI
InChI=1S/C8H6ClN3/c9-7-3-4-8(11-10-7)12-5-1-2-6-12/h1-6H
InChIKey
LQIVORYEWIDSDK-UHFFFAOYSA-N
Compound name
3-chloro-6-pyrrol-1-ylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

179.02502 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03230 133.4
[M+Na]+ 202.01424 144.2
[M-H]- 178.01774 136.2
[M+NH4]+ 197.05884 151.8
[M+K]+ 217.98818 139.8
[M+H-H2O]+ 162.02228 124.9
[M+HCOO]- 224.02322 151.7
[M+CH3COO]- 238.03887 147.0
[M+Na-2H]- 199.99969 140.6
[M]+ 179.02447 134.7
[M]- 179.02557 134.7
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

patents stripe