CID 28306934

913472-55-6

Structural Information

Molecular Formula

C₆H₄F₃NO₂S

SMILES

C1=C(C=C(C(=C1F)F)F)S(=O)(=O)N

InChI

InChI=1S/C6H4F3NO2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,(H2,10,11,12)

InChIKey

BIAGBHUIRSMWRI-UHFFFAOYSA-N

Compound name

3,4,5-trifluorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 210.99149 Da
Monoisotopic Mass: 0.8
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]+	211.998766	133.2
[M+Na]+	233.980708	144.5
[M-H]-	209.984214	133.7
[M+NH4]+	229.025313	152.4
[M+K]+	249.954648	140.6
[M+H-H2O]+	193.988750	125.5
[M+HCOO]-	255.989691	149.6
[M+CH3COO]-	270.005341	184.8
[M+Na-2H]-	231.966156	135.9
[M]+	210.99094142	130.9
[M]-	210.99203858	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe