CID 118408626

1692870-13-5

Structural Information

Molecular Formula
C9H9FO5S
SMILES
CCOC(=O)C1=CC=C(C=C1)OS(=O)(=O)F
InChI
InChI=1S/C9H9FO5S/c1-2-14-9(11)7-3-5-8(6-4-7)15-16(10,12)13/h3-6H,2H2,1H3
InChIKey
WSJHOCQDJHFOCL-UHFFFAOYSA-N
Compound name
ethyl 4-fluorosulfonyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

248.01547 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.02275 147.3
[M+Na]+ 271.00469 156.1
[M-H]- 247.00819 150.1
[M+NH4]+ 266.04929 164.9
[M+K]+ 286.97863 154.4
[M+H-H2O]+ 231.01273 140.6
[M+HCOO]- 293.01367 164.6
[M+CH3COO]- 307.02932 187.2
[M+Na-2H]- 268.99014 151.0
[M]+ 248.01492 152.5
[M]- 248.01602 152.5
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