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]+ 208.08808 142.4
[M+Na]+ 230.07002 151.9
[M-H]- 206.07352 143.2
[M+NH4]+ 225.11462 158.5
[M+K]+ 246.04396 148.3
[M+H-H2O]+ 190.07806 133.1
[M+HCOO]- 252.07900 161.6
[M+CH3COO]- 266.09465 183.4
[M+Na-2H]- 228.05547 146.3
[M]+ 207.08025 141.1
[M]- 207.08135 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.