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]+ 228.03345 143.4
[M+Na]+ 250.01539 155.2
[M-H]- 226.01889 144.2
[M+NH4]+ 245.05999 159.8
[M+K]+ 265.98933 149.6
[M+H-H2O]+ 210.02343 134.6
[M+HCOO]- 272.02437 159.1
[M+CH3COO]- 286.04002 156.0
[M+Na-2H]- 248.00084 147.7
[M]+ 227.02562 144.5
[M]- 227.02672 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.