CID 18445401

141653-49-8

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃S

SMILES

CC1(COC2=C1C=C(C=C2)S(=O)(=O)Cl)C

InChI

InChI=1S/C10H11ClO3S/c1-10(2)6-14-9-4-3-7(5-8(9)10)15(11,12)13/h3-5H,6H2,1-2H3

InChIKey

YHAMGSLQVPEDTQ-UHFFFAOYSA-N

Compound name

3,3-dimethyl-2H-1-benzofuran-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 246.01175 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.01903	149.8
[M+Na]+	269.00097	162.3
[M+NH4]+	264.04557	160.2
[M+K]+	284.97491	154.6
[M-H]-	245.00447	152.1
[M+Na-2H]-	266.98642	155.4
[M]+	246.01120	153.3
[M]-	246.01230	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe