CID 256019

2-fluoroethyl p-toluenesulfonate

Structural Information

Molecular Formula
C9H11FO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCF
InChI
InChI=1S/C9H11FO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3
InChIKey
XNRDLSNSMTUXBV-UHFFFAOYSA-N
Compound name
2-fluoroethyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1402
Patents

218.04129 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04857 142.0
[M+Na]+ 241.03051 151.2
[M-H]- 217.03401 144.9
[M+NH4]+ 236.07511 161.2
[M+K]+ 257.00445 148.5
[M+H-H2O]+ 201.03855 135.6
[M+HCOO]- 263.03949 159.7
[M+CH3COO]- 277.05514 183.7
[M+Na-2H]- 239.01596 146.4
[M]+ 218.04074 145.7
[M]- 218.04184 145.7
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