CID 139022747

(2,2-difluoro-1-methylcyclopentyl)methyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C8H11F5O3S
SMILES
CC1(CCCC1(F)F)COS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C8H11F5O3S/c1-6(3-2-4-7(6,9)10)5-16-17(14,15)8(11,12)13/h2-5H2,1H3
InChIKey
UGVZIUSKJMKKDI-UHFFFAOYSA-N
Compound name
(2,2-difluoro-1-methylcyclopentyl)methyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0349 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04218 149.4
[M+Na]+ 305.02412 158.9
[M-H]- 281.02762 146.7
[M+NH4]+ 300.06872 171.2
[M+K]+ 320.99806 156.8
[M+H-H2O]+ 265.03216 143.1
[M+HCOO]- 327.03310 159.5
[M+CH3COO]- 341.04875 191.8
[M+Na-2H]- 303.00957 153.0
[M]+ 282.03435 146.3
[M]- 282.03545 146.3
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.