CID 167724688

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

Structural Information

Molecular Formula
C9H7ClO3S
SMILES
CC1=C(C2=CC=CC=C2O1)S(=O)(=O)Cl
InChI
InChI=1S/C9H7ClO3S/c1-6-9(14(10,11)12)7-4-2-3-5-8(7)13-6/h2-5H,1H3
InChIKey
HYJHFFPAFZVHPV-UHFFFAOYSA-N
Compound name
2-methyl-1-benzofuran-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.98044 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.987716 143.2
[M+Na]+ 252.969658 156.8
[M-H]- 228.973164 150.4
[M+NH4]+ 248.014263 165.1
[M+K]+ 268.943598 153.5
[M+H-H2O]+ 212.977700 140.1
[M+HCOO]- 274.978641 158.9
[M+CH3COO]- 288.994291 183.2
[M+Na-2H]- 250.955106 149.8
[M]+ 229.97989142 152.2
[M]- 229.98098858 152.2
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

No patent data available for this compound.