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]+ 208.08808 142.5
[M+Na]+ 230.07002 153.2
[M-H]- 206.07352 143.5
[M+NH4]+ 225.11462 158.9
[M+K]+ 246.04396 149.1
[M+H-H2O]+ 190.07806 133.4
[M+HCOO]- 252.07900 162.6
[M+CH3COO]- 266.09465 183.7
[M+Na-2H]- 228.05547 146.7
[M]+ 207.08025 142.2
[M]- 207.08135 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.