CID 59557777

2-(2-fluoroethoxy)ethyl 4-methylbenzenesulfonate

Structural Information

Molecular Formula
C11H15FO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCF
InChI
InChI=1S/C11H15FO4S/c1-10-2-4-11(5-3-10)17(13,14)16-9-8-15-7-6-12/h2-5H,6-9H2,1H3
InChIKey
VQTKDNCYXCDOSB-UHFFFAOYSA-N
Compound name
2-(2-fluoroethoxy)ethyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

262.0675 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07478 154.4
[M+Na]+ 285.05672 162.5
[M-H]- 261.06022 156.8
[M+NH4]+ 280.10132 171.7
[M+K]+ 301.03066 159.9
[M+H-H2O]+ 245.06476 147.3
[M+HCOO]- 307.06570 171.7
[M+CH3COO]- 321.08135 191.8
[M+Na-2H]- 283.04217 158.0
[M]+ 262.06695 160.3
[M]- 262.06805 160.3
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