CID 58713256

5-chloro-3-methyl-1-benzofuran-2-sulfonyl chloride

Structural Information

Molecular Formula
C9H6Cl2O3S
SMILES
CC1=C(OC2=C1C=C(C=C2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C9H6Cl2O3S/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3
InChIKey
OTCLFARNTQXIFH-UHFFFAOYSA-N
Compound name
5-chloro-3-methyl-1-benzofuran-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

263.94147 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.948746 149.9
[M+Na]+ 286.930688 164.4
[M-H]- 262.934194 156.8
[M+NH4]+ 281.975293 171.0
[M+K]+ 302.904628 160.0
[M+H-H2O]+ 246.938730 147.7
[M+HCOO]- 308.939671 160.4
[M+CH3COO]- 322.955321 189.1
[M+Na-2H]- 284.916136 155.1
[M]+ 263.94092142 160.2
[M]- 263.94201858 160.2
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