CID 43381742

Methyl 3-(chlorosulfonyl)-2,6-dimethoxybenzoate

Structural Information

Molecular Formula
C10H11ClO6S
SMILES
COC1=C(C(=C(C=C1)S(=O)(=O)Cl)OC)C(=O)OC
InChI
InChI=1S/C10H11ClO6S/c1-15-6-4-5-7(18(11,13)14)9(16-2)8(6)10(12)17-3/h4-5H,1-3H3
InChIKey
DAQPIRCLICQPDP-UHFFFAOYSA-N
Compound name
methyl 3-chlorosulfonyl-2,6-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

293.9965 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.00378 154.7
[M+Na]+ 316.98572 165.0
[M-H]- 292.98922 159.7
[M+NH4]+ 312.03032 171.9
[M+K]+ 332.95966 162.7
[M+H-H2O]+ 276.99376 150.2
[M+HCOO]- 338.99470 168.5
[M+CH3COO]- 353.01035 195.9
[M+Na-2H]- 314.97117 157.4
[M]+ 293.99595 165.6
[M]- 293.99705 165.6
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

patents stripe