CID 16046474

(s,e)-2-methyl-n-(2,2,2-trifluoroethylidene)propane-2-sulfinamide

Structural Information

Molecular Formula

C₆H₁₀F₃NOS

SMILES

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

InChI

InChI=1S/C6H10F3NOS/c1-5(2,3)12(11)10-4-6(7,8)9/h4H,1-3H3/b10-4+/t12-/m0/s1

InChIKey

PLTNZADFUQGXSR-YCGNWBHESA-N

Compound name

(NE,S)-2-methyl-N-(2,2,2-trifluoroethylidene)propane-2-sulfinamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 201.04352 Da
Monoisotopic Mass: 1.5
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]+	202.05080	137.0
[M+Na]+	224.03274	144.9
[M-H]-	200.03624	135.2
[M+NH4]+	219.07734	157.1
[M+K]+	240.00668	143.7
[M+H-H2O]+	184.04078	129.7
[M+HCOO]-	246.04172	151.1
[M+CH3COO]-	260.05737	186.4
[M+Na-2H]-	222.01819	139.9
[M]+	201.04297	135.8
[M]-	201.04407	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe