CID 76441

Brompyrazon

Structural Information

Molecular Formula
C10H8BrN3O
SMILES
C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Br
InChI
InChI=1S/C10H8BrN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2
InChIKey
ODNZLRLWXRXPOH-UHFFFAOYSA-N
Compound name
5-amino-4-bromo-2-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5976
Patents

264.98508 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.99236 145.6
[M+Na]+ 287.97430 158.7
[M-H]- 263.97780 152.6
[M+NH4]+ 283.01890 163.0
[M+K]+ 303.94824 146.3
[M+H-H2O]+ 247.98234 143.7
[M+HCOO]- 309.98328 167.0
[M+CH3COO]- 323.99893 160.4
[M+Na-2H]- 285.95975 154.1
[M]+ 264.98453 163.3
[M]- 264.98563 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe