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]+ 410.04671 174.8
[M+Na]+ 432.02865 181.3
[M-H]- 408.03215 166.5
[M+NH4]+ 427.07325 188.1
[M+K]+ 448.00259 178.6
[M+H-H2O]+ 392.03669 164.7
[M+HCOO]- 454.03763 175.5
[M+CH3COO]- 468.05328 216.7
[M+Na-2H]- 430.01410 178.0
[M]+ 409.03888 162.3
[M]- 409.03998 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.