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]+ 238.977556 143.6
[M+Na]+ 260.959498 155.0
[M-H]- 236.963004 149.6
[M+NH4]+ 256.004103 163.7
[M+K]+ 276.933438 153.6
[M+H-H2O]+ 220.967540 140.5
[M+HCOO]- 282.968481 158.1
[M+CH3COO]- 296.984131 183.6
[M+Na-2H]- 258.944946 146.7
[M]+ 237.96973142 152.8
[M]- 237.97082858 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