CID 137347578

3-chloro-6,7-dihydro-5h-pyrrolo[2,3-c]pyridazine

Structural Information

Molecular Formula
C6H6ClN3
SMILES
C1CNC2=NN=C(C=C21)Cl
InChI
InChI=1S/C6H6ClN3/c7-5-3-4-1-2-8-6(4)10-9-5/h3H,1-2H2,(H,8,10)
InChIKey
BOHDXPQYYBURAQ-UHFFFAOYSA-N
Compound name
3-chloro-6,7-dihydro-5H-pyrrolo[2,3-c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

155.02502 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.03230 127.4
[M+Na]+ 178.01424 141.0
[M+NH4]+ 173.05884 136.4
[M+K]+ 193.98818 135.9
[M-H]- 154.01774 127.9
[M+Na-2H]- 175.99969 133.6
[M]+ 155.02447 129.6
[M]- 155.02557 129.6
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