CID 43506235

1-[2-fluoro-6-(1h-1,2,4-triazol-1-yl)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C10H10FN3O
SMILES
CC(C1=C(C=CC=C1F)N2C=NC=N2)O
InChI
InChI=1S/C10H10FN3O/c1-7(15)10-8(11)3-2-4-9(10)14-6-12-5-13-14/h2-7,15H,1H3
InChIKey
PDVLEDRINHBEAM-UHFFFAOYSA-N
Compound name
1-[2-fluoro-6-(1,2,4-triazol-1-yl)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.088076 142.4
[M+Na]+ 230.070018 151.9
[M-H]- 206.073524 143.2
[M+NH4]+ 225.114623 158.5
[M+K]+ 246.043958 148.3
[M+H-H2O]+ 190.078060 133.1
[M+HCOO]- 252.079001 161.6
[M+CH3COO]- 266.094651 183.4
[M+Na-2H]- 228.055466 146.3
[M]+ 207.08025142 141.1
[M]- 207.08134858 141.1
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.