CID 3000772

Nsc654615

Structural Information

Molecular Formula
C10H6ClN5O
SMILES
C1=CC(=CC(=C1)N=[N+]=[N-])C2=NNC(=CC2=O)Cl
InChI
InChI=1S/C10H6ClN5O/c11-9-5-8(17)10(15-14-9)6-2-1-3-7(4-6)13-16-12/h1-5H,(H,14,17)
InChIKey
HFEQFWQSGPCGAK-UHFFFAOYSA-N
Compound name
3-(3-azidophenyl)-6-chloro-1H-pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.0261 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.03338 150.9
[M+Na]+ 270.01532 160.4
[M-H]- 246.01882 156.5
[M+NH4]+ 265.05992 165.6
[M+K]+ 285.98926 150.1
[M+H-H2O]+ 230.02336 146.8
[M+HCOO]- 292.02430 174.7
[M+CH3COO]- 306.03995 191.0
[M+Na-2H]- 268.00077 161.8
[M]+ 247.02555 149.5
[M]- 247.02665 149.5
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.