CID 47002200

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

Structural Information

Molecular Formula
C8H7ClO3S
SMILES
C1C2=C(CO1)C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClO3S/c9-13(10,11)8-2-1-6-4-12-5-7(6)3-8/h1-3H,4-5H2
InChIKey
YIQZXCNAVFOVGR-UHFFFAOYSA-N
Compound name
1,3-dihydro-2-benzofuran-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

217.98044 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.987716 141.0
[M+Na]+ 240.969658 152.1
[M-H]- 216.973164 147.2
[M+NH4]+ 236.014263 162.9
[M+K]+ 256.943598 149.5
[M+H-H2O]+ 200.977700 138.0
[M+HCOO]- 262.978641 154.2
[M+CH3COO]- 276.994291 179.7
[M+Na-2H]- 238.955106 147.0
[M]+ 217.97989142 146.5
[M]- 217.98098858 146.5
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