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

158
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 182.0
[M+Na]+ 446.94022 191.6
[M-H]- 422.94372 178.3
[M+NH4]+ 441.98482 192.8
[M+K]+ 462.91416 186.8
[M+H-H2O]+ 406.94826 171.1
[M+HCOO]- 468.94920 184.3
[M+CH3COO]- 482.96485 214.4
[M+Na-2H]- 444.92567 188.5
[M]+ 423.95045 181.9
[M]- 423.95155 181.9
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

patents stripe