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

2
Patents

208.04596 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.053236 139.1
[M+Na]+ 231.035178 148.4
[M-H]- 207.038684 135.0
[M+NH4]+ 226.079783 154.7
[M+K]+ 247.009118 145.8
[M+H-H2O]+ 191.043220 129.7
[M+HCOO]- 253.044161 155.8
[M+CH3COO]- 267.059811 181.1
[M+Na-2H]- 229.020626 146.1
[M]+ 208.04541142 136.5
[M]- 208.04650858 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