CID 165751094

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

Structural Information

Molecular Formula
C7H7BrN2
SMILES
C1CC2=CC(=NN=C2C1)Br
InChI
InChI=1S/C7H7BrN2/c8-7-4-5-2-1-3-6(5)9-10-7/h4H,1-3H2
InChIKey
KIWNCSCPWXDJQD-UHFFFAOYSA-N
Compound name
3-bromo-6,7-dihydro-5H-cyclopenta[c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.97926 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98654 137.2
[M+Na]+ 220.96848 140.8
[M+NH4]+ 216.01308 142.9
[M+K]+ 236.94242 141.5
[M-H]- 196.97198 137.4
[M+Na-2H]- 218.95393 140.3
[M]+ 197.97871 136.5
[M]- 197.97981 136.5
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

No patent data available for this compound.