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]+ 233.00338 145.2
[M+Na]+ 254.98532 156.7
[M-H]- 230.98882 151.6
[M+NH4]+ 250.02992 166.8
[M+K]+ 270.95926 153.8
[M+H-H2O]+ 214.99336 142.3
[M+HCOO]- 276.99430 158.1
[M+CH3COO]- 291.00995 183.8
[M+Na-2H]- 252.97077 150.2
[M]+ 231.99555 151.5
[M]- 231.99665 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