CID 3017142

59536-15-1

Structural Information

Molecular Formula
C15H4ClF17O3S
SMILES
C1=CC(=CC=C1OC(=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)S(=O)(=O)Cl
InChI
InChI=1S/C15H4ClF17O3S/c16-37(34,35)6-3-1-5(2-4-6)36-8(18)7(17)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)33/h1-4H
InChIKey
PPJLYJGIFDYVNT-UHFFFAOYSA-N
Compound name
4-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

621.9298 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.93708 207.7
[M+Na]+ 644.91902 189.4
[M-H]- 620.92252 190.7
[M+NH4]+ 639.96362 195.6
[M+K]+ 660.89296 210.4
[M+H-H2O]+ 604.92706 190.9
[M+HCOO]- 666.92800 203.0
[M+CH3COO]- 680.94365 249.0
[M+Na-2H]- 642.90447 208.6
[M]+ 621.92925 184.7
[M]- 621.93035 184.7
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.