CID 382411

Nsc669972

Structural Information

Molecular Formula
C15H9FO5S
SMILES
C1=CC=C(C=C1)OS(=O)(=O)C2=COC3=C(C2=O)C=CC(=C3)F
InChI
InChI=1S/C15H9FO5S/c16-10-6-7-12-13(8-10)20-9-14(15(12)17)22(18,19)21-11-4-2-1-3-5-11/h1-9H
InChIKey
ZFFKRDOUKXIAQE-UHFFFAOYSA-N
Compound name
phenyl 7-fluoro-4-oxochromene-3-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.01547 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.02275 165.5
[M+Na]+ 343.00469 176.7
[M-H]- 319.00819 173.6
[M+NH4]+ 338.04929 180.0
[M+K]+ 358.97863 173.6
[M+H-H2O]+ 303.01273 157.3
[M+HCOO]- 365.01367 182.5
[M+CH3COO]- 379.02932 201.5
[M+Na-2H]- 340.99014 172.8
[M]+ 320.01492 171.2
[M]- 320.01602 171.2
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

No patent data available for this compound.