CID 2776019

2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C4H2F8O3S
SMILES
C(C(C(F)(F)F)(F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C4H2F8O3S/c5-2(6,3(7,8)9)1-15-16(13,14)4(10,11)12/h1H2
InChIKey
QHZUUSNAUOEJBB-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

459
Patents

281.9597 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.96698 143.5
[M+Na]+ 304.94892 153.1
[M-H]- 280.95242 134.3
[M+NH4]+ 299.99352 159.1
[M+K]+ 320.92286 151.0
[M+H-H2O]+ 264.95696 133.0
[M+HCOO]- 326.95790 149.0
[M+CH3COO]- 340.97355 192.8
[M+Na-2H]- 302.93437 147.4
[M]+ 281.95915 135.9
[M]- 281.96025 135.9
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

patents stripe