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]+ 230.98772 143.2
[M+Na]+ 252.96966 156.8
[M-H]- 228.97316 150.4
[M+NH4]+ 248.01426 165.1
[M+K]+ 268.94360 153.5
[M+H-H2O]+ 212.97770 140.1
[M+HCOO]- 274.97864 158.9
[M+CH3COO]- 288.99429 183.2
[M+Na-2H]- 250.95511 149.8
[M]+ 229.97989 152.2
[M]- 229.98099 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.