CID 101970163

4-[(nonadecafluorodecenyl)oxy]benzenesulfonic acid, sodium salt

Structural Information

Molecular Formula
C16H5F19O4S
SMILES
C1=CC(=CC=C1OC(C(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)(F)F)S(=O)(=O)O
InChI
InChI=1S/C16H5F19O4S/c17-7(8(18)19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)39-5-1-3-6(4-2-5)40(36,37)38/h1-4H,(H,36,37,38)
InChIKey
CJGYUIJKVJLYKU-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-nonadecafluorodec-9-enoxy)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

653.9605 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 654.96778 159.9
[M+Na]+ 676.94972 160.0
[M+NH4]+ 671.99432 159.9
[M+K]+ 692.92366 160.5
[M-H]- 652.95322 159.3
[M+Na-2H]- 674.93517 160.5
[M]+ 653.95995 159.7
[M]- 653.96105 159.7
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.