CID 10855763

191614-02-5

Structural Information

Molecular Formula

C₆H₆F₂N₂O

SMILES

CC1=NN(C(=C1C(=O)F)F)C

InChI

InChI=1S/C6H6F2N2O/c1-3-4(6(8)11)5(7)10(2)9-3/h1-2H3

InChIKey

FSLWXANTEMFPRQ-UHFFFAOYSA-N

Compound name

5-fluoro-1,3-dimethylpyrazole-4-carbonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 160.04482 Da
Monoisotopic Mass: 1.0
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]+	161.05210	126.0
[M+Na]+	183.03404	137.5
[M-H]-	159.03754	125.5
[M+NH4]+	178.07864	146.6
[M+K]+	199.00798	135.9
[M+H-H2O]+	143.04208	118.3
[M+HCOO]-	205.04302	147.0
[M+CH3COO]-	219.05867	178.6
[M+Na-2H]-	181.01949	129.0
[M]+	160.04427	125.5
[M]-	160.04537	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe