CID 90082

Mbr 3356

Structural Information

Molecular Formula

C₇H₄Cl₂F₃NO₂S

SMILES

C1=CC(=C(C=C1Cl)Cl)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C7H4Cl2F3NO2S/c8-4-1-2-6(5(9)3-4)13-16(14,15)7(10,11)12/h1-3,13H

InChIKey

PSFINYJXSOEILE-UHFFFAOYSA-N

Compound name

N-(2,4-dichlorophenyl)-1,1,1-trifluoromethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 292.9292 Da
Monoisotopic Mass: 3.9
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]+	293.93648	148.3
[M+Na]+	315.91842	159.4
[M-H]-	291.92192	148.7
[M+NH4]+	310.96302	165.5
[M+K]+	331.89236	153.2
[M+H-H2O]+	275.92646	142.4
[M+HCOO]-	337.92740	154.2
[M+CH3COO]-	351.94305	195.3
[M+Na-2H]-	313.90387	152.2
[M]+	292.92865	149.5
[M]-	292.92975	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe