CID 43243101

Ethyl 3-(4-fluorobenzenesulfonyl)propanoate

Structural Information

Molecular Formula
C11H13FO4S
SMILES
CCOC(=O)CCS(=O)(=O)C1=CC=C(C=C1)F
InChI
InChI=1S/C11H13FO4S/c1-2-16-11(13)7-8-17(14,15)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChIKey
GAFARCSAKLMHDE-UHFFFAOYSA-N
Compound name
ethyl 3-(4-fluorophenyl)sulfonylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.05185 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05913 153.3
[M+Na]+ 283.04107 161.4
[M-H]- 259.04457 155.8
[M+NH4]+ 278.08567 170.6
[M+K]+ 299.01501 158.7
[M+H-H2O]+ 243.04911 146.4
[M+HCOO]- 305.05005 169.7
[M+CH3COO]- 319.06570 191.1
[M+Na-2H]- 281.02652 155.8
[M]+ 260.05130 157.8
[M]- 260.05240 157.8
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

No patent data available for this compound.