CID 14000568

Trifluoromethanesulfonyl bromide

Structural Information

Molecular Formula

SMILES

C(F)(F)(F)S(=O)(=O)Br

InChI

InChI=1S/CBrF3O2S/c2-8(6,7)1(3,4)5

InChIKey

IMNIECVIVJOTBH-UHFFFAOYSA-N

Compound name

trifluoromethanesulfonyl bromide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 342
Patents: 211.87544 Da
Monoisotopic Mass: 1.8
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]+	212.88272	122.3
[M+Na]+	234.86466	136.5
[M-H]-	210.86816	122.9
[M+NH4]+	229.90926	145.1
[M+K]+	250.83860	125.6
[M+H-H2O]+	194.87270	121.9
[M+HCOO]-	256.87364	135.1
[M+CH3COO]-	270.88929	177.5
[M+Na-2H]-	232.85011	129.6
[M]+	211.87489	138.9
[M]-	211.87599	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe