CID 11525204

Perfluoroheptane sulfonamide

Structural Information

Molecular Formula
C7H2F15NO2S
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H2F15NO2S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25/h(H2,23,24,25)
InChIKey
ZYBNLNNCZHCXAC-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

18
Patents

448.95667 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.96395 177.3
[M+Na]+ 471.94589 158.8
[M-H]- 447.94939 159.7
[M+NH4]+ 466.99049 160.4
[M+K]+ 487.91983 182.2
[M+H-H2O]+ 431.95393 162.3
[M+HCOO]- 493.95487 173.4
[M+CH3COO]- 507.97052 226.5
[M+Na-2H]- 469.93134 180.7
[M]+ 448.95612 152.6
[M]- 448.95722 152.6
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