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]+ 238.977556 144.7
[M+Na]+ 260.959498 155.2
[M-H]- 236.963004 150.3
[M+NH4]+ 256.004103 164.4
[M+K]+ 276.933438 153.8
[M+H-H2O]+ 220.967540 141.3
[M+HCOO]- 282.968481 159.2
[M+CH3COO]- 296.984131 182.4
[M+Na-2H]- 258.944946 148.3
[M]+ 237.96973142 153.4
[M]- 237.97082858 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.