CID 130871771

1h-pyrazole-5-sulfonyl fluoride

Structural Information

Molecular Formula

C₃H₃FN₂O₂S

SMILES

C1=C(NN=C1)S(=O)(=O)F

InChI

InChI=1S/C3H3FN2O2S/c4-9(7,8)3-1-2-5-6-3/h1-2H,(H,5,6)

InChIKey

DDADMFYLUVJHKR-UHFFFAOYSA-N

Compound name

1H-pyrazole-5-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.98993 Da
Monoisotopic Mass: 0.3
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]+	150.99721	124.1
[M+Na]+	172.97915	134.9
[M-H]-	148.98265	123.4
[M+NH4]+	168.02375	144.3
[M+K]+	188.95309	132.5
[M+H-H2O]+	132.98719	117.8
[M+HCOO]-	194.98813	140.3
[M+CH3COO]-	209.00378	165.3
[M+Na-2H]-	170.96460	128.8
[M]+	149.98938	123.7
[M]-	149.99048	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.