CID 24944454

3-chloro-5h,6h,7h-cyclopenta[c]pyridazine

Structural Information

Molecular Formula
C7H7ClN2
SMILES
C1CC2=CC(=NN=C2C1)Cl
InChI
InChI=1S/C7H7ClN2/c8-7-4-5-2-1-3-6(5)9-10-7/h4H,1-3H2
InChIKey
UCOMGQRYTLYYGM-UHFFFAOYSA-N
Compound name
3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

154.02977 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03705 127.0
[M+Na]+ 177.01899 141.2
[M+NH4]+ 172.06359 137.1
[M+K]+ 192.99293 135.4
[M-H]- 153.02249 128.9
[M+Na-2H]- 175.00444 134.0
[M]+ 154.02922 129.8
[M]- 154.03032 129.8
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