CID 25013612

1045822-31-8

Structural Information

Molecular Formula

C₉H₁₀F₃NO₂S₂

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)SC(F)(F)F

InChI

InChI=1S/C9H10F3NO2S2/c1-7-3-5-8(6-4-7)17(14,15)13(2)16-9(10,11)12/h3-6H,1-2H3

InChIKey

IYHCILKSORKFNW-UHFFFAOYSA-N

Compound name

N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 285.0105 Da
Monoisotopic Mass: 3.1
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]+	286.01778	154.1
[M+Na]+	307.99972	162.4
[M-H]-	284.00322	154.9
[M+NH4]+	303.04432	170.6
[M+K]+	323.97366	158.3
[M+H-H2O]+	268.00776	145.1
[M+HCOO]-	330.00870	163.4
[M+CH3COO]-	344.02435	199.7
[M+Na-2H]-	305.98517	156.0
[M]+	285.00995	154.4
[M]-	285.01105	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe