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

8
Patents

263.94147 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.94875 152.8
[M+Na]+ 286.93069 168.0
[M+NH4]+ 281.97529 162.0
[M+K]+ 302.90463 161.0
[M-H]- 262.93419 155.5
[M+Na-2H]- 284.91614 158.1
[M]+ 263.94092 157.0
[M]- 263.94202 157.0
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