CID 2079402

1181458-28-5

Structural Information

Molecular Formula

C₁₁H₁₃F₃N₂O₃S

SMILES

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C11H13F3N2O3S/c12-11(13,14)19-9-1-3-10(4-2-9)20(17,18)16-7-5-15-6-8-16/h1-4,15H,5-8H2

InChIKey

YNZSAWALMDCRMX-UHFFFAOYSA-N

Compound name

1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 42
Patents: 310.0599 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]+	311.06718	167.1
[M+Na]+	333.04912	173.8
[M+NH4]+	328.09372	170.6
[M+K]+	349.02306	168.8
[M-H]-	309.05262	162.7
[M+Na-2H]-	331.03457	169.8
[M]+	310.05935	166.7
[M]-	310.06045	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe