CID 2733258

Morpholinosulfur trifluoride

Structural Information

Molecular Formula

C₄H₈F₃NOS

SMILES

C1COCCN1S(F)(F)F

InChI

InChI=1S/C4H8F3NOS/c5-10(6,7)8-1-3-9-4-2-8/h1-4H2

InChIKey

UFXIRMVZNARBDL-UHFFFAOYSA-N

Compound name

trifluoro(morpholin-4-yl)-lambda4-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1336
Patents: 175.02786 Da
Monoisotopic Mass: 2.4
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]+	176.03514	128.0
[M+Na]+	198.01708	135.1
[M-H]-	174.02058	126.6
[M+NH4]+	193.06168	145.9
[M+K]+	213.99102	134.8
[M+H-H2O]+	158.02512	119.8
[M+HCOO]-	220.02606	138.1
[M+CH3COO]-	234.04171	174.5
[M+Na-2H]-	196.00253	132.2
[M]+	175.02731	122.5
[M]-	175.02841	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe