CID 145876204

Pyrimidine-5-sulfonyl fluoride

Structural Information

Molecular Formula

C₄H₃FN₂O₂S

SMILES

C1=C(C=NC=N1)S(=O)(=O)F

InChI

InChI=1S/C4H3FN2O2S/c5-10(8,9)4-1-6-3-7-2-4/h1-3H

InChIKey

NJFKPOBKHUYDFO-UHFFFAOYSA-N

Compound name

pyrimidine-5-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.98993 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]+	162.997206	125.6
[M+Na]+	184.979148	136.4
[M-H]-	160.982654	126.1
[M+NH4]+	180.023753	144.2
[M+K]+	200.953088	134.1
[M+H-H2O]+	144.987190	118.6
[M+HCOO]-	206.988131	142.2
[M+CH3COO]-	221.003781	170.9
[M+Na-2H]-	182.964596	132.9
[M]+	161.98938142	126.7
[M]-	161.99047858	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.