CID 43187311

2-methyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

231.9961 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.003376 145.2
[M+Na]+ 254.985318 156.7
[M-H]- 230.988824 151.6
[M+NH4]+ 250.029923 166.8
[M+K]+ 270.959258 153.8
[M+H-H2O]+ 214.993360 142.3
[M+HCOO]- 276.994301 158.1
[M+CH3COO]- 291.009951 183.8
[M+Na-2H]- 252.970766 150.2
[M]+ 231.99555142 151.5
[M]- 231.99664858 151.5
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