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
2
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 187.5
[M+Na]+ 676.94972 192.2
[M-H]- 652.95322 196.6
[M+NH4]+ 671.99432 199.6
[M+K]+ 692.92366 201.2
[M+H-H2O]+ 636.95776 177.1
[M+HCOO]- 698.95870 205.9
[M+CH3COO]- 712.97435 253.4
[M+Na-2H]- 674.93517 185.7
[M]+ 653.95995 187.0
[M]- 653.96105 187.0
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.