CID 15311216

6-bromo-2-naphthyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C11H6BrF3O3S
SMILES
C1=CC2=C(C=CC(=C2)Br)C=C1OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C11H6BrF3O3S/c12-9-3-1-8-6-10(4-2-7(8)5-9)18-19(16,17)11(13,14)15/h1-6H
InChIKey
FRNRXKFDZXFNKG-UHFFFAOYSA-N
Compound name
(6-bromonaphthalen-2-yl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

353.9173 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.92458 160.4
[M+Na]+ 376.90652 174.3
[M-H]- 352.91002 164.4
[M+NH4]+ 371.95112 178.9
[M+K]+ 392.88046 161.9
[M+H-H2O]+ 336.91456 158.8
[M+HCOO]- 398.91550 171.9
[M+CH3COO]- 412.93115 202.8
[M+Na-2H]- 374.89197 167.7
[M]+ 353.91675 179.7
[M]- 353.91785 179.7
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

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