CID 43381750

Ethyl 3-(chlorosulfonyl)-5-fluoro-4-methoxybenzoate

Structural Information

Molecular Formula
C10H10ClFO5S
SMILES
CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)Cl)OC)F
InChI
InChI=1S/C10H10ClFO5S/c1-3-17-10(13)6-4-7(12)9(16-2)8(5-6)18(11,14)15/h4-5H,3H2,1-2H3
InChIKey
DYXMLJUECXBKML-UHFFFAOYSA-N
Compound name
ethyl 3-chlorosulfonyl-5-fluoro-4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.99216 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.99944 160.4
[M+Na]+ 318.98138 171.2
[M+NH4]+ 314.02598 165.9
[M+K]+ 334.95532 165.1
[M-H]- 294.98488 158.3
[M+Na-2H]- 316.96683 163.5
[M]+ 295.99161 161.8
[M]- 295.99271 161.8
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.