CID 43381747

Ethyl 3-(chlorosulfonyl)-5-(methoxymethyl)benzoate

Structural Information

Molecular Formula
C11H13ClO5S
SMILES
CCOC(=O)C1=CC(=CC(=C1)COC)S(=O)(=O)Cl
InChI
InChI=1S/C11H13ClO5S/c1-3-17-11(13)9-4-8(7-16-2)5-10(6-9)18(12,14)15/h4-6H,3,7H2,1-2H3
InChIKey
QJIQAMHVZSBHCD-UHFFFAOYSA-N
Compound name
ethyl 3-chlorosulfonyl-5-(methoxymethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0172 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02448 157.7
[M+Na]+ 315.00642 167.1
[M-H]- 291.00992 162.2
[M+NH4]+ 310.05102 174.9
[M+K]+ 330.98036 163.8
[M+H-H2O]+ 275.01446 153.0
[M+HCOO]- 337.01540 171.0
[M+CH3COO]- 351.03105 195.4
[M+Na-2H]- 312.99187 160.2
[M]+ 292.01665 167.1
[M]- 292.01775 167.1
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.