CID 14512906

N-propyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide

Structural Information

Molecular Formula
C11H8F17NO2S
SMILES
CCCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H8F17NO2S/c1-2-3-29-32(30,31)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h29H,2-3H2,1H3
InChIKey
YEAMHXDZHZNOQE-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-propyloctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

541.0004 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 542.00768 175.3
[M+Na]+ 563.98962 180.1
[M-H]- 539.99312 182.8
[M+NH4]+ 559.03422 184.4
[M+K]+ 579.96356 188.8
[M+H-H2O]+ 523.99766 162.9
[M+HCOO]- 585.99860 194.7
[M+CH3COO]- 600.01425 242.5
[M+Na-2H]- 561.97507 173.6
[M]+ 540.99985 175.2
[M]- 541.00095 175.2
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