CID 11534927

Fluensulfone

Structural Information

Molecular Formula

C₇H₅ClF₃NO₂S₂

SMILES

C1=C(SC(=N1)S(=O)(=O)CCC(=C(F)F)F)Cl

InChI

InChI=1S/C7H5ClF3NO2S2/c8-5-3-12-7(15-5)16(13,14)2-1-4(9)6(10)11/h3H,1-2H2

InChIKey

XSNMWAPKHUGZGQ-UHFFFAOYSA-N

Compound name

5-chloro-2-(3,4,4-trifluorobut-3-enylsulfonyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 20
References: 7605
Patents: 290.94025 Da
Monoisotopic Mass: 2.5
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]+	291.94753	150.4
[M+Na]+	313.92947	160.6
[M-H]-	289.93297	149.5
[M+NH4]+	308.97407	167.9
[M+K]+	329.90341	154.9
[M+H-H2O]+	273.93751	143.4
[M+HCOO]-	335.93845	154.0
[M+CH3COO]-	349.95410	192.4
[M+Na-2H]-	311.91492	148.0
[M]+	290.93970	151.8
[M]-	290.94080	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe