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 154.1
[M+Na]+ 318.98138 164.7
[M-H]- 294.98488 157.6
[M+NH4]+ 314.02598 171.3
[M+K]+ 334.95532 161.2
[M+H-H2O]+ 278.98942 148.8
[M+HCOO]- 340.99036 166.6
[M+CH3COO]- 355.00601 196.4
[M+Na-2H]- 316.96683 156.0
[M]+ 295.99161 162.4
[M]- 295.99271 162.4
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.