CID 2758937

179538-97-7

Structural Information

Molecular Formula
C10H9F3O5S
SMILES
CCOC(=O)C1=CC=CC=C1OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C10H9F3O5S/c1-2-17-9(14)7-5-3-4-6-8(7)18-19(15,16)10(11,12)13/h3-6H,2H2,1H3
InChIKey
VDPKUXGAEQOPME-UHFFFAOYSA-N
Compound name
ethyl 2-(trifluoromethylsulfonyloxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

298.01227 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.01955 156.9
[M+Na]+ 321.00149 165.6
[M-H]- 297.00499 156.9
[M+NH4]+ 316.04609 172.3
[M+K]+ 336.97543 163.3
[M+H-H2O]+ 281.00953 148.5
[M+HCOO]- 343.01047 170.2
[M+CH3COO]- 357.02612 195.4
[M+Na-2H]- 318.98694 160.1
[M]+ 298.01172 159.4
[M]- 298.01282 159.4
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