CID 155937575

2137539-20-7

Structural Information

Molecular Formula

C₅H₇FN₂O₂S

SMILES

CN1C=CC(=N1)CS(=O)(=O)F

InChI

InChI=1S/C5H7FN2O2S/c1-8-3-2-5(7-8)4-11(6,9)10/h2-3H,4H2,1H3

InChIKey

SIYIPPJXDJKUKV-UHFFFAOYSA-N

Compound name

(1-methylpyrazol-3-yl)methanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.02122 Da
Monoisotopic Mass: 0.0
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]+	179.02850	132.0
[M+Na]+	201.01044	143.2
[M-H]-	177.01394	132.8
[M+NH4]+	196.05504	152.2
[M+K]+	216.98438	141.3
[M+H-H2O]+	161.01848	125.4
[M+HCOO]-	223.01942	149.0
[M+CH3COO]-	237.03507	175.1
[M+Na-2H]-	198.99589	135.6
[M]+	178.02067	134.7
[M]-	178.02177	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.