CID 3052617

Brn 0793784

Structural Information

Molecular Formula
C11H9BrN2O
SMILES
C1C2CC(=O)NN=C2C3=C1C=C(C=C3)Br
InChI
InChI=1S/C11H9BrN2O/c12-8-1-2-9-6(4-8)3-7-5-10(15)13-14-11(7)9/h1-2,4,7H,3,5H2,(H,13,15)
InChIKey
MKQPFZZZTNSYGI-UHFFFAOYSA-N
Compound name
7-bromo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.98984 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.99712 151.7
[M+Na]+ 286.97906 164.4
[M-H]- 262.98256 156.1
[M+NH4]+ 282.02366 172.8
[M+K]+ 302.95300 152.0
[M+H-H2O]+ 246.98710 151.6
[M+HCOO]- 308.98804 167.4
[M+CH3COO]- 323.00369 165.5
[M+Na-2H]- 284.96451 158.3
[M]+ 263.98929 167.7
[M]- 263.99039 167.7
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.