CID 126993151

2,2,2-trifluoroethane-1-sulfinyl chloride

Structural Information

Molecular Formula

C₂H₂ClF₃OS

SMILES

C(C(F)(F)F)S(=O)Cl

InChI

InChI=1S/C2H2ClF3OS/c3-8(7)1-2(4,5)6/h1H2

InChIKey

NTOLLMQTDUCPKD-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethanesulfinyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.9467 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]+	166.95398	119.2
[M+Na]+	188.93592	129.1
[M-H]-	164.93942	116.5
[M+NH4]+	183.98052	141.1
[M+K]+	204.90986	126.4
[M+H-H2O]+	148.94396	113.9
[M+HCOO]-	210.94490	129.1
[M+CH3COO]-	224.96055	172.9
[M+Na-2H]-	186.92137	122.3
[M]+	165.94615	118.7
[M]-	165.94725	118.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.