CID 71369456

66406-80-2

Structural Information

Molecular Formula
C7H5F9O2S
SMILES
CC=CS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H5F9O2S/c1-2-3-19(17,18)7(15,16)5(10,11)4(8,9)6(12,13)14/h2-3H,1H3
InChIKey
RGKAEHDYNMLWRB-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-4-prop-1-enylsulfonylbutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

323.98666 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.99394 154.9
[M+Na]+ 346.97588 164.0
[M-H]- 322.97938 144.5
[M+NH4]+ 342.02048 168.6
[M+K]+ 362.94982 160.4
[M+H-H2O]+ 306.98392 143.7
[M+HCOO]- 368.98486 157.0
[M+CH3COO]- 383.00051 202.2
[M+Na-2H]- 344.96133 157.9
[M]+ 323.98611 144.1
[M]- 323.98721 144.1
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.