CID 2795024

2,5-dimethylfuran-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H7ClO3S
SMILES
CC1=CC(=C(O1)C)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClO3S/c1-4-3-6(5(2)10-4)11(7,8)9/h3H,1-2H3
InChIKey
PIXAQZAVANAGLE-UHFFFAOYSA-N
Compound name
2,5-dimethylfuran-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

193.98044 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.987716 134.5
[M+Na]+ 216.969658 146.6
[M-H]- 192.973164 140.4
[M+NH4]+ 212.014263 156.6
[M+K]+ 232.943598 144.5
[M+H-H2O]+ 176.977700 131.6
[M+HCOO]- 238.978641 149.6
[M+CH3COO]- 252.994291 177.1
[M+Na-2H]- 214.955106 138.5
[M]+ 193.97989142 141.7
[M]- 193.98098858 141.7
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