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

86
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

No literature data available for this compound.

Patent stripe

patents stripe