CID 2737258

175203-76-6

Structural Information

Molecular Formula

C₈H₉FN₂O₃S

SMILES

C1=CC(=CC=C1F)S(=O)(=O)CC(=NO)N

InChI

InChI=1S/C8H9FN2O3S/c9-6-1-3-7(4-2-6)15(13,14)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)

InChIKey

STPCRDRACVTHTE-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)sulfonyl-N'-hydroxyethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 232.03178 Da
Monoisotopic Mass: 0.5
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]+	233.039056	144.9
[M+Na]+	255.020998	152.5
[M-H]-	231.024504	147.0
[M+NH4]+	250.065603	162.2
[M+K]+	270.994938	149.3
[M+H-H2O]+	215.029040	137.7
[M+HCOO]-	277.029981	163.2
[M+CH3COO]-	291.045631	189.4
[M+Na-2H]-	253.006446	148.6
[M]+	232.03123142	144.1
[M]-	232.03232858	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe