CID 102431398

Dtxsid80896201

Structural Information

Molecular Formula
C10H10F9NO3S
SMILES
C1CCC(C1)C(=O)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H10F9NO3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)24(22,23)20-6(21)5-3-1-2-4-5/h5H,1-4H2,(H,20,21)
InChIKey
FLLDEJHRVFMCRU-UHFFFAOYSA-N
Compound name
N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)cyclopentanecarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

395.02377 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.03105 171.7
[M+Na]+ 418.01299 177.8
[M-H]- 394.01649 163.5
[M+NH4]+ 413.05759 183.6
[M+K]+ 433.98693 174.8
[M+H-H2O]+ 378.02103 160.3
[M+HCOO]- 440.02197 172.7
[M+CH3COO]- 454.03762 214.3
[M+Na-2H]- 415.99844 173.3
[M]+ 395.02322 158.4
[M]- 395.02432 158.4
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.