CID 118458343

1820028-74-7

Structural Information

Molecular Formula
C15H10F6O4S
SMILES
CCOC1=C(C(=C(C=C1)C2=C(C(=CC=C2)F)OS(=O)(=O)C(F)(F)F)F)F
InChI
InChI=1S/C15H10F6O4S/c1-2-24-11-7-6-8(12(17)13(11)18)9-4-3-5-10(16)14(9)25-26(22,23)15(19,20)21/h3-7H,2H2,1H3
InChIKey
IFKGIODVRWKAIA-UHFFFAOYSA-N
Compound name
[2-(4-ethoxy-2,3-difluorophenyl)-6-fluorophenyl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

400.0204 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.02768 180.2
[M+Na]+ 423.00962 191.6
[M-H]- 399.01312 180.1
[M+NH4]+ 418.05422 191.9
[M+K]+ 438.98356 186.2
[M+H-H2O]+ 383.01766 167.8
[M+HCOO]- 445.01860 190.4
[M+CH3COO]- 459.03425 217.9
[M+Na-2H]- 420.99507 180.0
[M]+ 400.01985 179.8
[M]- 400.02095 179.8
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