CID 2784946

Nsc654614

Structural Information

Molecular Formula
C10H7N5O
SMILES
C1=CC=C(C=C1)C2=NNC(=O)C=C2N=[N+]=[N-]
InChI
InChI=1S/C10H7N5O/c11-15-12-8-6-9(16)13-14-10(8)7-4-2-1-3-5-7/h1-6H,(H,13,16)
InChIKey
HWONMIYXBJCHTI-UHFFFAOYSA-N
Compound name
4-azido-3-phenyl-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

213.06506 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.07234 141.3
[M+Na]+ 236.05428 149.6
[M-H]- 212.05778 147.3
[M+NH4]+ 231.09888 156.4
[M+K]+ 252.02822 140.7
[M+H-H2O]+ 196.06232 136.5
[M+HCOO]- 258.06326 170.0
[M+CH3COO]- 272.07891 186.1
[M+Na-2H]- 234.03973 154.0
[M]+ 213.06451 137.5
[M]- 213.06561 137.5
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.