CID 102431402

Dtxsid30896211

Structural Information

Molecular Formula
C11H12F9NO3S
SMILES
C1CCC(CC1)C(=O)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H12F9NO3S/c12-8(13,10(16,17)18)9(14,15)11(19,20)25(23,24)21-7(22)6-4-2-1-3-5-6/h6H,1-5H2,(H,21,22)
InChIKey
RQHMHZYWBYYODV-UHFFFAOYSA-N
Compound name
N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.03943 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.04671 193.1
[M+Na]+ 432.02865 192.2
[M+NH4]+ 427.07325 191.8
[M+K]+ 448.00259 189.9
[M-H]- 408.03215 184.8
[M+Na-2H]- 430.01410 189.6
[M]+ 409.03888 190.3
[M]- 409.03998 190.3
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.