CID 11034997

200573-11-1

Structural Information

Molecular Formula
C13H9F3O5S
SMILES
COC(=O)C1=C(C=CC2=CC=CC=C21)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C13H9F3O5S/c1-20-12(17)11-9-5-3-2-4-8(9)6-7-10(11)21-22(18,19)13(14,15)16/h2-7H,1H3
InChIKey
BDXDWDCWSCPFEW-UHFFFAOYSA-N
Compound name
methyl 2-(trifluoromethylsulfonyloxy)naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

334.01227 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.01955 166.5
[M+Na]+ 357.00149 176.1
[M-H]- 333.00499 167.5
[M+NH4]+ 352.04609 181.7
[M+K]+ 372.97543 173.0
[M+H-H2O]+ 317.00953 158.0
[M+HCOO]- 379.01047 178.7
[M+CH3COO]- 393.02612 203.2
[M+Na-2H]- 354.98694 171.3
[M]+ 334.01172 169.6
[M]- 334.01282 169.6
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