CID 138395052

[n(e),s(s)]-n-(4-chlorophenyl)methyleneperfluorobutanesulfinamide

Structural Information

Molecular Formula

C₁₁H₅ClF₉NOS

SMILES

C1=CC(=CC=C1/C=N/[S@@](=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl

InChI

InChI=1S/C11H5ClF9NOS/c12-7-3-1-6(2-4-7)5-22-24(23)11(20,21)9(15,16)8(13,14)10(17,18)19/h1-5H/b22-5+/t24-/m0/s1

InChIKey

MGQRMTIVHOQHJI-WDTQFDANSA-N

Compound name

(NE,S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 404.96365 Da
Monoisotopic Mass: 4.9
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]+	405.970926	171.1
[M+Na]+	427.952868	180.6
[M-H]-	403.956374	165.0
[M+NH4]+	422.997473	183.1
[M+K]+	443.926808	174.3
[M+H-H2O]+	387.960910	158.4
[M+HCOO]-	449.961851	171.8
[M+CH3COO]-	463.977501	219.9
[M+Na-2H]-	425.938316	172.6
[M]+	404.96310142	163.1
[M]-	404.96419858	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.