CID 61256334

[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol

Structural Information

Molecular Formula
C7H7F3N2O2
SMILES
C1=CC(=NN=C1CO)OCC(F)(F)F
InChI
InChI=1S/C7H7F3N2O2/c8-7(9,10)4-14-6-2-1-5(3-13)11-12-6/h1-2,13H,3-4H2
InChIKey
POIGGUVQCJRAJY-UHFFFAOYSA-N
Compound name
[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

208.04596 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05324 139.1
[M+Na]+ 231.03518 148.4
[M-H]- 207.03868 135.0
[M+NH4]+ 226.07978 154.7
[M+K]+ 247.00912 145.8
[M+H-H2O]+ 191.04322 129.7
[M+HCOO]- 253.04416 155.8
[M+CH3COO]- 267.05981 181.1
[M+Na-2H]- 229.02063 146.1
[M]+ 208.04541 136.5
[M]- 208.04651 136.5
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

patents stripe