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: 74
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	133.5
[M+Na]+	183.03404	143.6
[M+NH4]+	178.07864	139.3
[M+K]+	199.00798	140.8
[M-H]-	159.03754	130.3
[M+Na-2H]-	181.01949	136.6
[M]+	160.04427	133.6
[M]-	160.04537	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe