CID 17988055

4-(chlorosulfonyl)-2,5-dimethylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C7H7ClO5S
SMILES
CC1=C(C(=C(O1)C)S(=O)(=O)Cl)C(=O)O
InChI
InChI=1S/C7H7ClO5S/c1-3-5(7(9)10)6(4(2)13-3)14(8,11)12/h1-2H3,(H,9,10)
InChIKey
HQGKSNBJJARVOL-UHFFFAOYSA-N
Compound name
4-chlorosulfonyl-2,5-dimethylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.97028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.97756 142.9
[M+Na]+ 260.95950 154.4
[M-H]- 236.96300 147.7
[M+NH4]+ 256.00410 162.4
[M+K]+ 276.93344 152.2
[M+H-H2O]+ 220.96754 140.3
[M+HCOO]- 282.96848 155.8
[M+CH3COO]- 296.98413 183.1
[M+Na-2H]- 258.94495 145.0
[M]+ 237.96973 150.6
[M]- 237.97083 150.6
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