CID 2734690

[bis(2-methoxyethyl)amino]sulfur trifluoride

Structural Information

Molecular Formula

C₆H₁₄F₃NO₂S

SMILES

COCCN(CCOC)S(F)(F)F

InChI

InChI=1S/C6H14F3NO2S/c1-11-5-3-10(4-6-12-2)13(7,8)9/h3-6H2,1-2H3

InChIKey

APOYTRAZFJURPB-UHFFFAOYSA-N

Compound name

2-methoxy-N-(2-methoxyethyl)-N-(trifluoro-lambda4-sulfanyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 14762
Patents: 221.06973 Da
Monoisotopic Mass: 2.5
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]+	222.077006	142.2
[M+Na]+	244.058948	148.8
[M-H]-	220.062454	139.8
[M+NH4]+	239.103553	161.3
[M+K]+	260.032888	148.7
[M+H-H2O]+	204.066990	133.8
[M+HCOO]-	266.067931	157.7
[M+CH3COO]-	280.083581	192.0
[M+Na-2H]-	242.044396	144.4
[M]+	221.06918142	144.7
[M]-	221.07027858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe