CID 4546341

2-naphthyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C11H7F3O3S
SMILES
C1=CC=C2C=C(C=CC2=C1)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C11H7F3O3S/c12-11(13,14)18(15,16)17-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey
MDWRQYBWVTXIIJ-UHFFFAOYSA-N
Compound name
naphthalen-2-yl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

310
Patents

276.0068 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.01408 152.8
[M+Na]+ 298.99602 163.0
[M-H]- 274.99952 153.9
[M+NH4]+ 294.04062 170.4
[M+K]+ 314.96996 159.0
[M+H-H2O]+ 259.00406 144.6
[M+HCOO]- 321.00500 166.2
[M+CH3COO]- 335.02065 192.6
[M+Na-2H]- 296.98147 159.6
[M]+ 276.00625 153.3
[M]- 276.00735 153.3
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

patents stripe