CID 21274492

1-bromo-2-trifluoromethylsulfanyl-ethane

Structural Information

Molecular Formula

C₃H₄BrF₃S

SMILES

C(CBr)SC(F)(F)F

InChI

InChI=1S/C3H4BrF3S/c4-1-2-8-3(5,6)7/h1-2H2

InChIKey

IDWNHZNFMKSHOE-UHFFFAOYSA-N

Compound name

1-bromo-2-(trifluoromethylsulfanyl)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 207.91692 Da
Monoisotopic Mass: 2.8
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]+	208.92420	126.0
[M+Na]+	230.90614	138.9
[M-H]-	206.90964	126.2
[M+NH4]+	225.95074	149.3
[M+K]+	246.88008	127.7
[M+H-H2O]+	190.91418	125.1
[M+HCOO]-	252.91512	138.9
[M+CH3COO]-	266.93077	180.9
[M+Na-2H]-	228.89159	131.5
[M]+	207.91637	142.6
[M]-	207.91747	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe