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

30
Patents

341.99722 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.00450 159.1
[M+Na]+ 364.98644 167.2
[M-H]- 340.98994 147.1
[M+NH4]+ 360.03104 171.4
[M+K]+ 380.96038 163.8
[M+H-H2O]+ 324.99448 148.0
[M+HCOO]- 386.99542 159.8
[M+CH3COO]- 401.01107 203.2
[M+Na-2H]- 362.97189 162.1
[M]+ 341.99667 148.6
[M]- 341.99777 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