CID 19993707

4-(difluoromethoxy)-1h-pyrazole

Structural Information

Molecular Formula

C₄H₄F₂N₂O

SMILES

C1=C(C=NN1)OC(F)F

InChI

InChI=1S/C4H4F2N2O/c5-4(6)9-3-1-7-8-2-3/h1-2,4H,(H,7,8)

InChIKey

IVNXAHIKUSLXSU-UHFFFAOYSA-N

Compound name

4-(difluoromethoxy)-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 134.02917 Da
Monoisotopic Mass: 1.3
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]+	135.036446	119.9
[M+Na]+	157.018388	128.7
[M-H]-	133.021894	117.1
[M+NH4]+	152.062993	139.9
[M+K]+	172.992328	127.4
[M+H-H2O]+	117.026430	111.6
[M+HCOO]-	179.027371	139.9
[M+CH3COO]-	193.043021	167.4
[M+Na-2H]-	155.003836	125.6
[M]+	134.02862142	116.4
[M]-	134.02971858	116.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe