CID 479711

185420-02-4

Structural Information

Molecular Formula
C11H6ClN3O2
SMILES
C1=CC=C2C(=C1)NC(=O)C3=CC(=NN=C3O2)Cl
InChI
InChI=1S/C11H6ClN3O2/c12-9-5-6-10(16)13-7-3-1-2-4-8(7)17-11(6)15-14-9/h1-5H,(H,13,16)
InChIKey
YFVKUNSDRSBJQC-UHFFFAOYSA-N
Compound name
3-chloro-6H-pyridazino[3,4-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.01485 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.02213 147.6
[M+Na]+ 270.00407 159.3
[M-H]- 246.00757 150.0
[M+NH4]+ 265.04867 161.5
[M+K]+ 285.97801 158.4
[M+H-H2O]+ 230.01211 139.2
[M+HCOO]- 292.01305 159.4
[M+CH3COO]- 306.02870 159.4
[M+Na-2H]- 267.98952 157.1
[M]+ 247.01430 146.9
[M]- 247.01540 146.9
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.