CID 81695851

7-bromo-2h,3h,5h-indeno[1,2-c]pyridazin-3-one

Structural Information

Molecular Formula
C11H7BrN2O
SMILES
C1C2=CC(=O)NN=C2C3=C1C=C(C=C3)Br
InChI
InChI=1S/C11H7BrN2O/c12-8-1-2-9-6(4-8)3-7-5-10(15)13-14-11(7)9/h1-2,4-5H,3H2,(H,13,15)
InChIKey
IMZUMBRABJRETP-UHFFFAOYSA-N
Compound name
7-bromo-2,5-dihydroindeno[1,2-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.97418 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.98146 148.5
[M+Na]+ 284.96340 163.1
[M-H]- 260.96690 153.7
[M+NH4]+ 280.00800 169.9
[M+K]+ 300.93734 150.4
[M+H-H2O]+ 244.97144 148.5
[M+HCOO]- 306.97238 167.0
[M+CH3COO]- 320.98803 163.4
[M+Na-2H]- 282.94885 157.1
[M]+ 261.97363 167.2
[M]- 261.97473 167.2
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.