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

literature stripe

Patent stripe

patents stripe