CID 4557473

746631-62-9

Structural Information

Molecular Formula

C₈H₇ClF₃NO₂S

SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F

InChI

InChI=1S/C8H7ClF3NO2S/c1-13-16(14,15)5-2-3-7(9)6(4-5)8(10,11)12/h2-4,13H,1H3

InChIKey

BBPCDXMGCAVBQB-UHFFFAOYSA-N

Compound name

4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 272.98383 Da
Monoisotopic Mass: 2.4
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]+	273.99111	148.0
[M+Na]+	295.97305	158.6
[M-H]-	271.97655	148.7
[M+NH4]+	291.01765	165.7
[M+K]+	311.94699	153.3
[M+H-H2O]+	255.98109	141.1
[M+HCOO]-	317.98203	158.5
[M+CH3COO]-	331.99768	193.8
[M+Na-2H]-	293.95850	152.0
[M]+	272.98328	148.4
[M]-	272.98438	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe