CID 71326934

89932-76-3

Structural Information

Molecular Formula
C14H6F17NO3S
SMILES
C1=CC(=CC=C1OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C14H6F17NO3S/c15-7(16,9(19,20)11(23,24)13(27,28)29)8(17,18)10(21,22)12(25,26)14(30,31)35-5-1-3-6(4-2-5)36(32,33)34/h1-4H,(H2,32,33,34)
InChIKey
BFTJXBHBMFIPTG-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

590.9797 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.98698 169.2
[M+Na]+ 613.96892 175.2
[M-H]- 589.97242 177.4
[M+NH4]+ 609.01352 178.6
[M+K]+ 629.94286 215.2
[M+H-H2O]+ 573.97696 194.2
[M+HCOO]- 635.97790 191.9
[M+CH3COO]- 649.99355 248.3
[M+Na-2H]- 611.95437 215.4
[M]+ 590.97915 168.6
[M]- 590.98025 168.6
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.