CID 131353721

3-methoxypyrazine-2-sulfonyl fluoride

Structural Information

Molecular Formula

C₅H₅FN₂O₃S

SMILES

COC1=NC=CN=C1S(=O)(=O)F

InChI

InChI=1S/C5H5FN2O3S/c1-11-4-5(12(6,9)10)8-3-2-7-4/h2-3H,1H3

InChIKey

ZIMJZSGDFYITAW-UHFFFAOYSA-N

Compound name

3-methoxypyrazine-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.00049 Da
Monoisotopic Mass: 0.2
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]+	193.00777	133.1
[M+Na]+	214.98971	144.0
[M-H]-	190.99321	133.7
[M+NH4]+	210.03431	150.6
[M+K]+	230.96365	141.9
[M+H-H2O]+	174.99775	125.8
[M+HCOO]-	236.99869	149.5
[M+CH3COO]-	251.01434	177.1
[M+Na-2H]-	212.97516	139.3
[M]+	191.99994	136.2
[M]-	192.00104	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe