CID 137963961

2-fluoro-1-(1-methyl-1h-1,2,3-triazol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C5H6FN3O
SMILES
CN1C(=CN=N1)C(=O)CF
InChI
InChI=1S/C5H6FN3O/c1-9-4(3-7-8-9)5(10)2-6/h3H,2H2,1H3
InChIKey
LIEYKGBGNNDSAS-UHFFFAOYSA-N
Compound name
2-fluoro-1-(3-methyltriazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.04948 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05676 124.7
[M+Na]+ 166.03870 134.8
[M-H]- 142.04220 123.5
[M+NH4]+ 161.08330 144.1
[M+K]+ 182.01264 133.9
[M+H-H2O]+ 126.04674 116.5
[M+HCOO]- 188.04768 145.8
[M+CH3COO]- 202.06333 173.4
[M+Na-2H]- 164.02415 130.1
[M]+ 143.04893 124.8
[M]- 143.05003 124.8
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.