CID 83895355

2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride

Structural Information

Molecular Formula
C9H9ClO3S
SMILES
CC1CC2=C(O1)C(=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H9ClO3S/c1-6-5-7-3-2-4-8(9(7)13-6)14(10,11)12/h2-4,6H,5H2,1H3
InChIKey
UJNZZQZYEYIKOX-UHFFFAOYSA-N
Compound name
2-methyl-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.9961 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.00338 146.0
[M+Na]+ 254.98532 158.6
[M+NH4]+ 250.02992 155.1
[M+K]+ 270.95926 152.7
[M-H]- 230.98882 148.4
[M+Na-2H]- 252.97077 150.0
[M]+ 231.99555 149.3
[M]- 231.99665 149.3
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.