CID 761523

Phospholipase

Structural Information

Molecular Formula

C₁₆H₁₆F₃NO₂S

SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C

InChI

InChI=1S/C16H16F3NO2S/c1-10-7-11(2)15(12(3)8-10)23(21,22)20-14-6-4-5-13(9-14)16(17,18)19/h4-9,20H,1-3H3

InChIKey

ZIIUUSVHCHPIQD-UHFFFAOYSA-N

Compound name

2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 33
References: 44530
Patents: 343.0854 Da
Monoisotopic Mass: 4.4
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]+	344.09268	173.6
[M+Na]+	366.07462	183.4
[M-H]-	342.07812	177.2
[M+NH4]+	361.11922	187.7
[M+K]+	382.04856	177.6
[M+H-H2O]+	326.08266	163.9
[M+HCOO]-	388.08360	187.4
[M+CH3COO]-	402.09925	212.1
[M+Na-2H]-	364.06007	175.5
[M]+	343.08485	173.4
[M]-	343.08595	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe