CID 75480629

5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl chloride

Structural Information

Molecular Formula
C8H6Cl2O3S
SMILES
C1COC2=C1C=C(C=C2S(=O)(=O)Cl)Cl
InChI
InChI=1S/C8H6Cl2O3S/c9-6-3-5-1-2-13-8(5)7(4-6)14(10,11)12/h3-4H,1-2H2
InChIKey
QOCMCTGCKAMOPC-UHFFFAOYSA-N
Compound name
5-chloro-2,3-dihydro-1-benzofuran-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

251.94147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.94875 147.9
[M+Na]+ 274.93069 159.9
[M-H]- 250.93419 153.8
[M+NH4]+ 269.97529 168.9
[M+K]+ 290.90463 156.1
[M+H-H2O]+ 234.93873 145.7
[M+HCOO]- 296.93967 155.9
[M+CH3COO]- 310.95532 185.5
[M+Na-2H]- 272.91614 152.4
[M]+ 251.94092 154.6
[M]- 251.94202 154.6
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