CID 43436724

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

Structural Information

Molecular Formula
C10H11ClO5S
SMILES
COCC1=CC(=CC(=C1)S(=O)(=O)Cl)C(=O)OC
InChI
InChI=1S/C10H11ClO5S/c1-15-6-7-3-8(10(12)16-2)5-9(4-7)17(11,13)14/h3-5H,6H2,1-2H3
InChIKey
UJQULDZMLZIZTA-UHFFFAOYSA-N
Compound name
methyl 3-chlorosulfonyl-5-(methoxymethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0016 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.00888 153.1
[M+Na]+ 300.99082 163.0
[M-H]- 276.99432 157.8
[M+NH4]+ 296.03542 170.9
[M+K]+ 316.96476 159.9
[M+H-H2O]+ 260.99886 148.6
[M+HCOO]- 322.99980 166.8
[M+CH3COO]- 337.01545 192.5
[M+Na-2H]- 298.97627 156.1
[M]+ 278.00105 162.2
[M]- 278.00215 162.2
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.