CID 299932

24962-65-0

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
2
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 207.0
[M+Na]+ 576.99252 215.3
[M-H]- 552.99602 194.0
[M+NH4]+ 572.03712 182.2
[M+K]+ 592.96646 210.7
[M+H-H2O]+ 537.00056 190.2
[M+HCOO]- 599.00150 197.1
[M+CH3COO]- 613.01715 242.0
[M+Na-2H]- 574.97797 209.9
[M]+ 554.00275 188.9
[M]- 554.00385 188.9
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.