CID 3052586

3(2h)-pyridazinone, 2-(2-hydroxyethyl)-6-(3-(trifluoromethyl)phenoxy)-

Structural Information

Molecular Formula
C13H11F3N2O3
SMILES
C1=CC(=CC(=C1)OC2=NN(C(=O)C=C2)CCO)C(F)(F)F
InChI
InChI=1S/C13H11F3N2O3/c14-13(15,16)9-2-1-3-10(8-9)21-11-4-5-12(20)18(17-11)6-7-19/h1-5,8,19H,6-7H2
InChIKey
CCFIUTLGNGWKRA-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethyl)-6-[3-(trifluoromethyl)phenoxy]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.07217 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07945 163.4
[M+Na]+ 323.06139 173.4
[M-H]- 299.06489 162.9
[M+NH4]+ 318.10599 175.2
[M+K]+ 339.03533 168.6
[M+H-H2O]+ 283.06943 152.3
[M+HCOO]- 345.07037 179.8
[M+CH3COO]- 359.08602 198.6
[M+Na-2H]- 321.04684 168.3
[M]+ 300.07162 162.0
[M]- 300.07272 162.0
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.