CID 111914

1-heptanesulfonamide, n-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-

Structural Information

Molecular Formula
C9H6F15NO2S
SMILES
CCNS(=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/C9H6F15NO2S/c1-2-25-28(26,27)9(23,24)7(18,19)5(14,15)3(10,11)4(12,13)6(16,17)8(20,21)22/h25H,2H2,1H3
InChIKey
WMOMXEHEPXLIAV-UHFFFAOYSA-N
Compound name
N-ethyl-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

3
Patents

476.98798 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.99526 165.1
[M+Na]+ 499.97720 170.6
[M-H]- 475.98070 171.5
[M+NH4]+ 495.02180 173.2
[M+K]+ 515.95114 177.0
[M+H-H2O]+ 459.98524 170.3
[M+HCOO]- 521.98618 185.3
[M+CH3COO]- 536.00183 232.2
[M+Na-2H]- 497.96265 163.5
[M]+ 476.98743 165.2
[M]- 476.98853 165.2
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