CID 58747012

2,2-difluoropropyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₄H₅F₅O₃S

SMILES

CC(COS(=O)(=O)C(F)(F)F)(F)F

InChI

InChI=1S/C4H5F5O3S/c1-3(5,6)2-12-13(10,11)4(7,8)9/h2H2,1H3

InChIKey

PQTXBPSLBYWNRI-UHFFFAOYSA-N

Compound name

2,2-difluoropropyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 301
Patents: 227.98796 Da
Monoisotopic Mass: 1.9
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]+	228.99524	135.8
[M+Na]+	250.97718	145.2
[M-H]-	226.98068	130.3
[M+NH4]+	246.02178	154.0
[M+K]+	266.95112	143.7
[M+H-H2O]+	210.98522	127.7
[M+HCOO]-	272.98616	146.0
[M+CH3COO]-	287.00181	183.9
[M+Na-2H]-	248.96263	140.3
[M]+	227.98741	133.2
[M]-	227.98851	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe