CID 11603678

Perfluorohexanesulfonamide

Structural Information

Molecular Formula
C6H2F13NO2S
SMILES
C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H2F13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)
InChIKey
WDZLGCSJJWEQJO-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

173
Patents

398.95987 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.96715 166.5
[M+Na]+ 421.94909 175.0
[M-H]- 397.95259 151.9
[M+NH4]+ 416.99369 152.8
[M+K]+ 437.92303 171.7
[M+H-H2O]+ 381.95713 152.6
[M+HCOO]- 443.95807 167.5
[M+CH3COO]- 457.97372 217.8
[M+Na-2H]- 419.93454 170.0
[M]+ 398.95932 147.0
[M]- 398.96042 147.0
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