CID 123472

Diethylaminosulfur trifluoride

Structural Information

Molecular Formula

C₄H₁₀F₃NS

SMILES

CCN(CC)S(F)(F)F

InChI

InChI=1S/C4H10F3NS/c1-3-8(4-2)9(5,6)7/h3-4H2,1-2H3

InChIKey

CSJLBAMHHLJAAS-UHFFFAOYSA-N

Compound name

N-ethyl-N-(trifluoro-lambda4-sulfanyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 56
References: 63597
Patents: 161.0486 Da
Monoisotopic Mass: 3.5
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]+	162.05588	126.3
[M+Na]+	184.03782	134.0
[M-H]-	160.04132	124.5
[M+NH4]+	179.08242	148.0
[M+K]+	200.01176	133.7
[M+H-H2O]+	144.04586	118.8
[M+HCOO]-	206.04680	141.9
[M+CH3COO]-	220.06245	182.2
[M+Na-2H]-	182.02327	129.2
[M]+	161.04805	125.2
[M]-	161.04915	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe