CID 105437

N-allyltridecafluorohexanesulphonamide

Structural Information

Molecular Formula
C9H6F13NO2S
SMILES
C=CCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H6F13NO2S/c1-2-3-23-26(24,25)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h2,23H,1,3H2
InChIKey
OEYYQKXFSDVKJI-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-prop-2-enylhexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

438.99118 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.99846 178.3
[M+Na]+ 461.98040 186.0
[M-H]- 437.98390 166.3
[M+NH4]+ 457.02500 168.4
[M+K]+ 477.95434 181.7
[M+H-H2O]+ 421.98844 163.9
[M+HCOO]- 483.98938 182.0
[M+CH3COO]- 498.00503 225.4
[M+Na-2H]- 459.96585 181.5
[M]+ 438.99063 161.2
[M]- 438.99173 161.2
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

No patent data available for this compound.