CID 43810745

Methyl 3-[(chlorosulfonyl)methyl]furan-2-carboxylate

Structural Information

Molecular Formula
C7H7ClO5S
SMILES
COC(=O)C1=C(C=CO1)CS(=O)(=O)Cl
InChI
InChI=1S/C7H7ClO5S/c1-12-7(9)6-5(2-3-13-6)4-14(8,10)11/h2-3H,4H2,1H3
InChIKey
WZPCMSYQBCVOCG-UHFFFAOYSA-N
Compound name
methyl 3-(chlorosulfonylmethyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.97028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.97756 144.7
[M+Na]+ 260.95950 155.2
[M-H]- 236.96300 150.3
[M+NH4]+ 256.00410 164.4
[M+K]+ 276.93344 153.8
[M+H-H2O]+ 220.96754 141.3
[M+HCOO]- 282.96848 159.2
[M+CH3COO]- 296.98413 182.4
[M+Na-2H]- 258.94495 148.3
[M]+ 237.96973 153.4
[M]- 237.97083 153.4
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.