CID 102431399

Dtxsid90896217

Structural Information

Molecular Formula
C11H12F9NO3S
SMILES
CC1(CCCC1)C(=O)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H12F9NO3S/c1-7(4-2-3-5-7)6(22)21-25(23,24)11(19,20)9(14,15)8(12,13)10(16,17)18/h2-5H2,1H3,(H,21,22)
InChIKey
ZNLVRZYKPKOZEM-UHFFFAOYSA-N
Compound name
1-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)cyclopentane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

409.03943 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.046706 174.8
[M+Na]+ 432.028648 181.3
[M-H]- 408.032154 166.5
[M+NH4]+ 427.073253 188.1
[M+K]+ 448.002588 178.6
[M+H-H2O]+ 392.036690 164.7
[M+HCOO]- 454.037631 175.5
[M+CH3COO]- 468.053281 216.7
[M+Na-2H]- 430.014096 178.0
[M]+ 409.03888142 162.3
[M]- 409.03997858 162.3
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.