CID 137347578

2089649-63-6

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 128.4
[M+Na]+ 178.01424 138.8
[M-H]- 154.01774 127.4
[M+NH4]+ 173.05884 148.4
[M+K]+ 193.98818 134.3
[M+H-H2O]+ 138.02228 121.4
[M+HCOO]- 200.02322 143.0
[M+CH3COO]- 214.03887 141.4
[M+Na-2H]- 175.99969 135.8
[M]+ 155.02447 127.1
[M]- 155.02557 127.1
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