CID 102330282

Cyclohept-1-en-1-yl nonafluorobutane-1-sulfonate

Structural Information

Molecular Formula
C11H11F9O3S
SMILES
C1CCC=C(CC1)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H11F9O3S/c12-8(13,10(16,17)18)9(14,15)11(19,20)24(21,22)23-7-5-3-1-2-4-6-7/h5H,1-4,6H2
InChIKey
ZECNIRGDHSDXDI-UHFFFAOYSA-N
Compound name
cyclohepten-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

394.02853 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.03581 155.8
[M+Na]+ 417.01775 160.0
[M-H]- 393.02125 149.0
[M+NH4]+ 412.06235 165.6
[M+K]+ 432.99169 162.4
[M+H-H2O]+ 377.02579 144.7
[M+HCOO]- 439.02673 156.3
[M+CH3COO]- 453.04238 213.4
[M+Na-2H]- 415.00320 159.4
[M]+ 394.02798 141.9
[M]- 394.02908 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.