CID 13090074

Methyl 4-(chlorosulfonyl)-5-methylfuran-2-carboxylate

Structural Information

Molecular Formula
C7H7ClO5S
SMILES
CC1=C(C=C(O1)C(=O)OC)S(=O)(=O)Cl
InChI
InChI=1S/C7H7ClO5S/c1-4-6(14(8,10)11)3-5(13-4)7(9)12-2/h3H,1-2H3
InChIKey
RADATWVEONYXFI-UHFFFAOYSA-N
Compound name
methyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.97028 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.97756 143.6
[M+Na]+ 260.95950 155.0
[M-H]- 236.96300 149.6
[M+NH4]+ 256.00410 163.7
[M+K]+ 276.93344 153.6
[M+H-H2O]+ 220.96754 140.5
[M+HCOO]- 282.96848 158.1
[M+CH3COO]- 296.98413 183.6
[M+Na-2H]- 258.94495 146.7
[M]+ 237.96973 152.8
[M]- 237.97083 152.8
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

patents stripe