CID 203396

14305-08-9

Structural Information

Molecular Formula
C10H6Br2N2O
SMILES
C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Br)Br
InChI
InChI=1S/C10H6Br2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H
InChIKey
NQJXEMRMTOSSBQ-UHFFFAOYSA-N
Compound name
4,5-dibromo-2-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

18
Patents

327.8847 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.89198 139.3
[M+Na]+ 350.87392 151.5
[M-H]- 326.87742 147.0
[M+NH4]+ 345.91852 155.7
[M+K]+ 366.84786 136.3
[M+H-H2O]+ 310.88196 147.1
[M+HCOO]- 372.88290 155.3
[M+CH3COO]- 386.89855 153.8
[M+Na-2H]- 348.85937 148.3
[M]+ 327.88415 174.1
[M]- 327.88525 174.1
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

No patent data available for this compound.