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

13
Patents

155.02502 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.032296 128.4
[M+Na]+ 178.014238 138.8
[M-H]- 154.017744 127.4
[M+NH4]+ 173.058843 148.4
[M+K]+ 193.988178 134.3
[M+H-H2O]+ 138.022280 121.4
[M+HCOO]- 200.023221 143.0
[M+CH3COO]- 214.038871 141.4
[M+Na-2H]- 175.999686 135.8
[M]+ 155.02447142 127.1
[M]- 155.02556858 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