CID 71403600

762241-70-3

Structural Information

Molecular Formula
C7H7F9O3S
SMILES
C(CO)CS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H7F9O3S/c8-4(9,6(12,13)14)5(10,11)7(15,16)20(18,19)3-1-2-17/h17H,1-3H2
InChIKey
JKKPDZOHRMMNDN-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

341.99722 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.004496 159.1
[M+Na]+ 364.986438 167.2
[M-H]- 340.989944 147.1
[M+NH4]+ 360.031043 171.4
[M+K]+ 380.960378 163.8
[M+H-H2O]+ 324.994480 148.0
[M+HCOO]- 386.995421 159.8
[M+CH3COO]- 401.011071 203.2
[M+Na-2H]- 362.971886 162.1
[M]+ 341.99667142 148.6
[M]- 341.99776858 148.6
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