CID 57587335

594838-61-6

Structural Information

Molecular Formula
C16H8F6O6S2
SMILES
C1=CC(=CC2=CC3=C(C=C21)C=C(C=C3)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C16H8F6O6S2/c17-15(18,19)29(23,24)27-13-3-1-9-5-12-8-14(28-30(25,26)16(20,21)22)4-2-10(12)6-11(9)7-13/h1-8H
InChIKey
ZGOORSQUXBKABZ-UHFFFAOYSA-N
Compound name
[6-(trifluoromethylsulfonyloxy)anthracen-2-yl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

473.96664 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.97392 197.3
[M+Na]+ 496.95586 208.1
[M-H]- 472.95936 194.7
[M+NH4]+ 492.00046 207.3
[M+K]+ 512.92980 202.5
[M+H-H2O]+ 456.96390 185.9
[M+HCOO]- 518.96484 199.5
[M+CH3COO]- 532.98049 224.7
[M+Na-2H]- 494.94131 205.9
[M]+ 473.96609 199.5
[M]- 473.96719 199.5
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