CID 19619407

1006434-30-5

Structural Information

Molecular Formula

C₇H₇F₃N₂O

SMILES

CC(=O)C1=CC(=NN1C)C(F)(F)F

InChI

InChI=1S/C7H7F3N2O/c1-4(13)5-3-6(7(8,9)10)11-12(5)2/h3H,1-2H3

InChIKey

VGYXGSWKLZXQRB-UHFFFAOYSA-N

Compound name

1-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 192.05104 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.05832	143.9
[M+Na]+	215.04026	151.8
[M+NH4]+	210.08486	148.2
[M+K]+	231.01420	149.7
[M-H]-	191.04376	138.6
[M+Na-2H]-	213.02571	145.9
[M]+	192.05049	143.0
[M]-	192.05159	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe