CID 3052417

68763-95-1

Structural Information

Molecular Formula
C14H11BrN4O
SMILES
C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC(=CC=C3)Br)NN
InChI
InChI=1S/C14H11BrN4O/c15-9-4-3-5-10(8-9)19-14(20)12-7-2-1-6-11(12)13(17-16)18-19/h1-8H,16H2,(H,17,18)
InChIKey
SMCPEBKFAJDVQQ-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-4-hydrazinylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.01163 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.01891 163.6
[M+Na]+ 353.00085 175.8
[M-H]- 329.00435 171.1
[M+NH4]+ 348.04545 179.0
[M+K]+ 368.97479 162.3
[M+H-H2O]+ 313.00889 160.5
[M+HCOO]- 375.00983 184.2
[M+CH3COO]- 389.02548 176.8
[M+Na-2H]- 350.98630 172.6
[M]+ 330.01108 181.0
[M]- 330.01218 181.0
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.