CID 10921660

Butyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₅H₉F₃O₃S

SMILES

CCCCOS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C5H9F3O3S/c1-2-3-4-11-12(9,10)5(6,7)8/h2-4H2,1H3

InChIKey

SEXLAQXMAFCJCO-UHFFFAOYSA-N

Compound name

butyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 646
Patents: 206.02245 Da
Monoisotopic Mass: 2.1
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]+	207.02973	135.8
[M+Na]+	229.01167	144.6
[M-H]-	205.01517	132.6
[M+NH4]+	224.05627	155.3
[M+K]+	244.98561	143.2
[M+H-H2O]+	189.01971	129.0
[M+HCOO]-	251.02065	149.4
[M+CH3COO]-	265.03630	180.6
[M+Na-2H]-	226.99712	139.8
[M]+	206.02190	136.9
[M]-	206.02300	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe