CID 90989561

5-fluoropentane-1-sulfonamide

Structural Information

Molecular Formula
C5H12FNO2S
SMILES
C(CCF)CCS(=O)(=O)N
InChI
InChI=1S/C5H12FNO2S/c6-4-2-1-3-5-10(7,8)9/h1-5H2,(H2,7,8,9)
InChIKey
SPIFZSBAGICLIH-UHFFFAOYSA-N
Compound name
5-fluoropentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

169.05728 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06456 132.2
[M+Na]+ 192.04650 139.7
[M-H]- 168.05000 130.8
[M+NH4]+ 187.09110 152.5
[M+K]+ 208.02044 137.6
[M+H-H2O]+ 152.05454 126.4
[M+HCOO]- 214.05548 149.3
[M+CH3COO]- 228.07113 177.4
[M+Na-2H]- 190.03195 135.5
[M]+ 169.05673 133.0
[M]- 169.05783 133.0
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

patents stripe