CID 16227365

923676-92-0

Structural Information

Molecular Formula

C₈H₅F₃N₂O₂S

SMILES

C1=CC(=C(C=C1S(=O)(=O)N)C(F)(F)F)C#N

InChI

InChI=1S/C8H5F3N2O2S/c9-8(10,11)7-3-6(16(13,14)15)2-1-5(7)4-12/h1-3H,(H2,13,14,15)

InChIKey

NDNVZATXCGMNHR-UHFFFAOYSA-N

Compound name

4-cyano-3-(trifluoromethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 250.00238 Da
Monoisotopic Mass: 1.6
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]+	251.00966	153.8
[M+Na]+	272.99160	164.8
[M-H]-	248.99510	154.0
[M+NH4]+	268.03620	169.2
[M+K]+	288.96554	161.7
[M+H-H2O]+	232.99964	139.6
[M+HCOO]-	295.00058	165.1
[M+CH3COO]-	309.01623	201.9
[M+Na-2H]-	270.97705	156.2
[M]+	250.00183	146.1
[M]-	250.00293	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe