CID 6426669

Piperidine diol

Structural Information

Molecular Formula
C10H9F2N3O
SMILES
C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)O
InChI
InChI=1S/C10H9F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6,10,16H,4H2
InChIKey
NQNSXRYFTHGTTO-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

225.07137 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.078646 144.7
[M+Na]+ 248.060588 154.2
[M-H]- 224.064094 144.0
[M+NH4]+ 243.105193 159.9
[M+K]+ 264.034528 150.1
[M+H-H2O]+ 208.068630 134.4
[M+HCOO]- 270.069571 162.8
[M+CH3COO]- 284.085221 186.1
[M+Na-2H]- 246.046036 148.0
[M]+ 225.07082142 142.3
[M]- 225.07191858 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe