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 149.9
[M+Na]+ 286.93069 164.4
[M-H]- 262.93419 156.8
[M+NH4]+ 281.97529 171.0
[M+K]+ 302.90463 160.0
[M+H-H2O]+ 246.93873 147.7
[M+HCOO]- 308.93967 160.4
[M+CH3COO]- 322.95532 189.1
[M+Na-2H]- 284.91614 155.1
[M]+ 263.94092 160.2
[M]- 263.94202 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