CID 43096777

4-[(2,2,2-trifluoroethyl)sulfamoyl]benzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₈H₇ClF₃NO₄S₂

SMILES

C1=CC(=CC=C1S(=O)(=O)NCC(F)(F)F)S(=O)(=O)Cl

InChI

InChI=1S/C8H7ClF3NO4S2/c9-18(14,15)6-1-3-7(4-2-6)19(16,17)13-5-8(10,11)12/h1-4,13H,5H2

InChIKey

LEPFENCWGMWGBO-UHFFFAOYSA-N

Compound name

4-(2,2,2-trifluoroethylsulfamoyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 336.9457 Da
Monoisotopic Mass: 2.0
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]+	337.952976	161.6
[M+Na]+	359.934918	170.8
[M-H]-	335.938424	161.5
[M+NH4]+	354.979523	175.9
[M+K]+	375.908858	164.4
[M+H-H2O]+	319.942960	154.3
[M+HCOO]-	381.943901	165.9
[M+CH3COO]-	395.959551	200.1
[M+Na-2H]-	357.920366	166.2
[M]+	336.94515142	163.0
[M]-	336.94624858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.