CID 24274791

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

Structural Information

Molecular Formula
C11H10FN3O
SMILES
CC1=C(N=NN1C2=CC=C(C=C2)F)C(=O)C
InChI
InChI=1S/C11H10FN3O/c1-7-11(8(2)16)13-14-15(7)10-5-3-9(12)4-6-10/h3-6H,1-2H3
InChIKey
KOGFLGOVBKEDMF-UHFFFAOYSA-N
Compound name
1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.0808 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08808 145.3
[M+Na]+ 242.07002 156.1
[M-H]- 218.07352 147.8
[M+NH4]+ 237.11462 161.8
[M+K]+ 258.04396 152.5
[M+H-H2O]+ 202.07806 136.0
[M+HCOO]- 264.07900 165.9
[M+CH3COO]- 278.09465 189.2
[M+Na-2H]- 240.05547 148.4
[M]+ 219.08025 145.9
[M]- 219.08135 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.