CID 15611038

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

Structural Information

Molecular Formula
C10H11ClO3S
SMILES
CC1(CC2=C(O1)C=CC(=C2)S(=O)(=O)Cl)C
InChI
InChI=1S/C10H11ClO3S/c1-10(2)6-7-5-8(15(11,12)13)3-4-9(7)14-10/h3-5H,6H2,1-2H3
InChIKey
SPOYJMNDIKTIEJ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3H-1-benzofuran-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

246.01175 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01903 148.0
[M+Na]+ 269.00097 159.8
[M-H]- 245.00447 154.4
[M+NH4]+ 264.04557 171.0
[M+K]+ 284.97491 156.9
[M+H-H2O]+ 229.00901 145.6
[M+HCOO]- 291.00995 160.5
[M+CH3COO]- 305.02560 186.4
[M+Na-2H]- 266.98642 154.1
[M]+ 246.01120 154.9
[M]- 246.01230 154.9
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