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

203
Patents

193.98044 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.98772 134.5
[M+Na]+ 216.96966 146.6
[M-H]- 192.97316 140.4
[M+NH4]+ 212.01426 156.6
[M+K]+ 232.94360 144.5
[M+H-H2O]+ 176.97770 131.6
[M+HCOO]- 238.97864 149.6
[M+CH3COO]- 252.99429 177.1
[M+Na-2H]- 214.95511 138.5
[M]+ 193.97989 141.7
[M]- 193.98099 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