CID 62402015

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

Structural Information

Molecular Formula
C9H7ClFN3O
SMILES
C1=CC(=C(C=C1F)Cl)N2C=C(N=N2)CO
InChI
InChI=1S/C9H7ClFN3O/c10-8-3-6(11)1-2-9(8)14-4-7(5-15)12-13-14/h1-4,15H,5H2
InChIKey
JCETWYTWTMGVHS-UHFFFAOYSA-N
Compound name
[1-(2-chloro-4-fluorophenyl)triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.02617 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.033446 143.4
[M+Na]+ 250.015388 155.2
[M-H]- 226.018894 144.2
[M+NH4]+ 245.059993 159.8
[M+K]+ 265.989328 149.6
[M+H-H2O]+ 210.023430 134.6
[M+HCOO]- 272.024371 159.1
[M+CH3COO]- 286.040021 156.0
[M+Na-2H]- 248.000836 147.7
[M]+ 227.02562142 144.5
[M]- 227.02671858 144.5
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.