CID 10938785

151391-00-3

Structural Information

Molecular Formula
C12H6F6O6S2
SMILES
C1=CC(=CC2=C1C=CC(=C2)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C12H6F6O6S2/c13-11(14,15)25(19,20)23-9-3-1-7-2-4-10(6-8(7)5-9)24-26(21,22)12(16,17)18/h1-6H
InChIKey
NWUWLVCEYBABOV-UHFFFAOYSA-N
Compound name
[7-(trifluoromethylsulfonyloxy)naphthalen-2-yl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
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

No literature data available for this compound.

Patent stripe

patents stripe