CID 154809665

2551114-64-6

Structural Information

Molecular Formula

C₄H₄FN₃O₂S

SMILES

C=CN1C(=NC=N1)S(=O)(=O)F

InChI

InChI=1S/C4H4FN3O2S/c1-2-8-4(6-3-7-8)11(5,9)10/h2-3H,1H2

InChIKey

RAWAJVLOSJQWRG-UHFFFAOYSA-N

Compound name

2-ethenyl-1,2,4-triazole-3-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.00082 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]+	178.00810	131.3
[M+Na]+	199.99004	143.3
[M-H]-	175.99354	130.8
[M+NH4]+	195.03464	150.0
[M+K]+	215.96398	140.8
[M+H-H2O]+	159.99808	124.2
[M+HCOO]-	221.99902	147.5
[M+CH3COO]-	236.01467	174.1
[M+Na-2H]-	197.97549	135.1
[M]+	177.00027	133.3
[M]-	177.00137	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.