CID 122164224

2-bromo-2,2-difluoroethyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C3H2BrF5O3S
SMILES
C(C(F)(F)Br)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C3H2BrF5O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2
InChIKey
XWARBAIUQRCYHI-UHFFFAOYSA-N
Compound name
(2-bromo-2,2-difluoroethyl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.8828 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.89008 142.1
[M+Na]+ 314.87202 155.4
[M-H]- 290.87552 139.8
[M+NH4]+ 309.91662 161.4
[M+K]+ 330.84596 144.1
[M+H-H2O]+ 274.88006 139.5
[M+HCOO]- 336.88100 151.0
[M+CH3COO]- 350.89665 190.9
[M+Na-2H]- 312.85747 148.2
[M]+ 291.88225 157.3
[M]- 291.88335 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.