CID 10958205

Perfluorobutylsulphonamide

Structural Information

Molecular Formula
C4H2F9NO2S
SMILES
C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F
InChI
InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
InChIKey
FUVKFLJWBHVMHX-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1076
Patents

298.96625 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.97353 146.3
[M+Na]+ 321.95547 155.2
[M-H]- 297.95897 135.4
[M+NH4]+ 317.00007 160.2
[M+K]+ 337.92941 152.3
[M+H-H2O]+ 281.96351 135.0
[M+HCOO]- 343.96445 149.3
[M+CH3COO]- 357.98010 199.2
[M+Na-2H]- 319.94092 150.1
[M]+ 298.96570 133.2
[M]- 298.96680 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe