CID 53426726

35762-74-4

Structural Information

Molecular Formula

C₅H₅FN₂O₂S

SMILES

CC1=NC(=NC=C1)S(=O)(=O)F

InChI

InChI=1S/C5H5FN2O2S/c1-4-2-3-7-5(8-4)11(6,9)10/h2-3H,1H3

InChIKey

YQMPKGAVBRPUBD-UHFFFAOYSA-N

Compound name

4-methylpyrimidine-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.00557 Da
Monoisotopic Mass: 0.7
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]+	177.01285	129.8
[M+Na]+	198.99479	141.0
[M-H]-	174.99829	130.5
[M+NH4]+	194.03939	148.1
[M+K]+	214.96873	138.4
[M+H-H2O]+	159.00283	122.8
[M+HCOO]-	221.00377	146.0
[M+CH3COO]-	235.01942	175.0
[M+Na-2H]-	196.98024	135.9
[M]+	176.00502	131.5
[M]-	176.00612	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.