CID 299932

1h,1h-perfluorooctyl p-toluenesulfonate

Structural Information

Molecular Formula
C15H9F15O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H9F15O3S/c1-7-2-4-8(5-3-7)34(31,32)33-6-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h2-5H,6H2,1H3
InChIKey
OTZYGTLBGUNRBX-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.0033 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.01058 171.8
[M+Na]+ 576.99252 171.7
[M+NH4]+ 572.03712 171.2
[M+K]+ 592.96646 171.3
[M-H]- 552.99602 169.2
[M+Na-2H]- 574.97797 171.2
[M]+ 554.00275 171.0
[M]- 554.00385 171.0
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.