CID 109965

1-heptanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-n-(phenylmethyl)-

Structural Information

Molecular Formula
C14H8F15NO2S
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H8F15NO2S/c15-8(16,9(17,18)11(21,22)13(25,26)27)10(19,20)12(23,24)14(28,29)33(31,32)30-6-7-4-2-1-3-5-7/h1-5,30H,6H2
InChIKey
ZJIFWMOMOPJFRZ-UHFFFAOYSA-N
Compound name
N-benzyl-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
3
Annotation Hits

0
References

0
Patents

539.0036 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.01088 202.3
[M+Na]+ 561.99282 209.7
[M-H]- 537.99632 188.9
[M+NH4]+ 557.03742 176.1
[M+K]+ 577.96676 204.5
[M+H-H2O]+ 522.00086 185.3
[M+HCOO]- 584.00180 191.3
[M+CH3COO]- 598.01745 241.0
[M+Na-2H]- 559.97827 206.2
[M]+ 539.00305 181.6
[M]- 539.00415 181.6
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

No patent data available for this compound.