CID 71411620

87988-75-8

Structural Information

Molecular Formula
C15H6F17NO3S
SMILES
C1=CC=C(C=C1)C(=O)NS(=O)(=O)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
InChI
InChI=1S/C15H6F17NO3S/c16-8(17,10(20,21)12(24,25)14(28,29)30)9(18,19)11(22,23)13(26,27)15(31,32)37(35,36)33-7(34)6-4-2-1-3-5-6/h1-5H,(H,33,34)
InChIKey
MHVUIICWGZEAKG-UHFFFAOYSA-N
Compound name
N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

602.9797 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.98698 177.1
[M+Na]+ 625.96892 184.1
[M-H]- 601.97242 187.0
[M+NH4]+ 621.01352 188.6
[M+K]+ 641.94286 190.6
[M+H-H2O]+ 585.97696 194.3
[M+HCOO]- 647.97790 198.5
[M+CH3COO]- 661.99355 249.2
[M+Na-2H]- 623.95437 176.2
[M]+ 602.97915 177.0
[M]- 602.98025 177.0
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.