CID 14976571

1,5-naphthalenebis(trifluoromethanesulfonate)

Structural Information

Molecular Formula
C12H6F6O6S2
SMILES
C1=CC2=C(C=CC=C2OS(=O)(=O)C(F)(F)F)C(=C1)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C12H6F6O6S2/c13-11(14,15)25(19,20)23-9-5-1-3-7-8(9)4-2-6-10(7)24-26(21,22)12(16,17)18/h1-6H
InChIKey
IFHGSECJTKJJIJ-UHFFFAOYSA-N
Compound name
[5-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

423.951 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.95828 193.2
[M+Na]+ 446.94022 195.9
[M+NH4]+ 441.98482 193.3
[M+K]+ 462.91416 191.6
[M-H]- 422.94372 184.7
[M+Na-2H]- 444.92567 191.8
[M]+ 423.95045 191.3
[M]- 423.95155 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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