CID 73994658

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

Structural Information

Molecular Formula
C10H7ClFN3O
SMILES
C1=CC(=CC=C1N2C=C(N=N2)C(=O)CCl)F
InChI
InChI=1S/C10H7ClFN3O/c11-5-10(16)9-6-15(14-13-9)8-3-1-7(12)2-4-8/h1-4,6H,5H2
InChIKey
SRENTSCNVMTEKF-UHFFFAOYSA-N
Compound name
2-chloro-1-[1-(4-fluorophenyl)triazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.02617 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03345 146.5
[M+Na]+ 262.01539 157.3
[M-H]- 238.01889 148.3
[M+NH4]+ 257.05999 162.6
[M+K]+ 277.98933 152.3
[M+H-H2O]+ 222.02343 137.0
[M+HCOO]- 284.02437 162.5
[M+CH3COO]- 298.04002 188.8
[M+Na-2H]- 260.00084 150.3
[M]+ 239.02562 148.1
[M]- 239.02672 148.1
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.