CID 11199840

Cyclohex-1-en-1-yl nonafluorobutane-1-sulfonate

Structural Information

Molecular Formula
C10H9F9O3S
SMILES
C1CCC(=CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H9F9O3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)23(20,21)22-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKey
OSWRWZGVKCULJE-UHFFFAOYSA-N
Compound name
cyclohexen-1-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

380.01288 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.02016 170.3
[M+Na]+ 403.00210 177.4
[M-H]- 379.00560 162.0
[M+NH4]+ 398.04670 181.4
[M+K]+ 418.97604 173.9
[M+H-H2O]+ 363.01014 157.9
[M+HCOO]- 425.01108 170.4
[M+CH3COO]- 439.02673 210.6
[M+Na-2H]- 400.98755 173.3
[M]+ 380.01233 158.3
[M]- 380.01343 158.3
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.