CID 5723

Zardaverine

Structural Information

Molecular Formula
C12H10F2N2O3
SMILES
COC1=C(C=CC(=C1)C2=NNC(=O)C=C2)OC(F)F
InChI
InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)
InChIKey
HJMQDJPMQIHLPB-UHFFFAOYSA-N
Compound name
3-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

72
References

2937
Patents

268.06595 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07323 154.5
[M+Na]+ 291.05517 164.2
[M-H]- 267.05867 155.3
[M+NH4]+ 286.09977 167.5
[M+K]+ 307.02911 160.1
[M+H-H2O]+ 251.06321 144.1
[M+HCOO]- 313.06415 173.0
[M+CH3COO]- 327.07980 194.0
[M+Na-2H]- 289.04062 158.7
[M]+ 268.06540 154.0
[M]- 268.06650 154.0
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.