CID 86068657

Schembl16622190

Structural Information

Molecular Formula
C8H10F9NO2S
SMILES
CCCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H10F9NO2S/c1-2-3-4-18-21(19,20)8(16,17)6(11,12)5(9,10)7(13,14)15/h18H,2-4H2,1H3
InChIKey
VTHLFEHATZVBSK-UHFFFAOYSA-N
Compound name
N-butyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

355.02884 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03612 164.0
[M+Na]+ 378.01806 171.5
[M-H]- 354.02156 153.1
[M+NH4]+ 373.06266 176.2
[M+K]+ 393.99200 168.0
[M+H-H2O]+ 338.02610 152.0
[M+HCOO]- 400.02704 166.5
[M+CH3COO]- 414.04269 211.3
[M+Na-2H]- 376.00351 167.1
[M]+ 355.02829 153.4
[M]- 355.02939 153.4
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

patents stripe