CID 79022259

[5-(4-fluorophenyl)-4-methyl-4h-1,2,4-triazol-3-yl]methanol

Structural Information

Molecular Formula
C10H10FN3O
SMILES
CN1C(=NN=C1C2=CC=C(C=C2)F)CO
InChI
InChI=1S/C10H10FN3O/c1-14-9(6-15)12-13-10(14)7-2-4-8(11)5-3-7/h2-5,15H,6H2,1H3
InChIKey
CRJCOEFQLBEIHM-UHFFFAOYSA-N
Compound name
[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0808 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.088076 142.5
[M+Na]+ 230.070018 153.2
[M-H]- 206.073524 143.5
[M+NH4]+ 225.114623 158.9
[M+K]+ 246.043958 149.1
[M+H-H2O]+ 190.078060 133.4
[M+HCOO]- 252.079001 162.6
[M+CH3COO]- 266.094651 183.7
[M+Na-2H]- 228.055466 146.7
[M]+ 207.08025142 142.2
[M]- 207.08134858 142.2
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.