CID 13704479

2-oxo-2h-chromen-7-yl trifluoromethanesulfonate

Structural Information

Molecular Formula
C10H5F3O5S
SMILES
C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C10H5F3O5S/c11-10(12,13)19(15,16)18-7-3-1-6-2-4-9(14)17-8(6)5-7/h1-5H
InChIKey
RHZZAJVDTLUWRD-UHFFFAOYSA-N
Compound name
(2-oxochromen-7-yl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

293.981 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.98828 153.0
[M+Na]+ 316.97022 164.5
[M-H]- 292.97372 155.3
[M+NH4]+ 312.01482 168.7
[M+K]+ 332.94416 162.4
[M+H-H2O]+ 276.97826 144.9
[M+HCOO]- 338.97920 166.5
[M+CH3COO]- 352.99485 194.4
[M+Na-2H]- 314.95567 161.0
[M]+ 293.98045 156.2
[M]- 293.98155 156.2
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