CID 102431400

Dtxsid10896219

Structural Information

Molecular Formula
C10H8F9NO3S
SMILES
C1CC(C=C1)C(=O)NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H8F9NO3S/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/h1,3,5H,2,4H2,(H,20,21)
InChIKey
MGIMXTVIKFQOFZ-UHFFFAOYSA-N
Compound name
N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)cyclopent-2-ene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

393.00812 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.01540 170.7
[M+Na]+ 415.99734 177.8
[M-H]- 392.00084 162.9
[M+NH4]+ 411.04194 182.8
[M+K]+ 431.97128 174.5
[M+H-H2O]+ 376.00538 159.1
[M+HCOO]- 438.00632 173.1
[M+CH3COO]- 452.02197 213.9
[M+Na-2H]- 413.98279 173.0
[M]+ 393.00757 158.8
[M]- 393.00867 158.8
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.