CID 13210286

88040-92-0

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃S

SMILES

COC1=C(C=C2CCCC2=C1)S(=O)(=O)Cl

InChI

InChI=1S/C10H11ClO3S/c1-14-9-5-7-3-2-4-8(7)6-10(9)15(11,12)13/h5-6H,2-4H2,1H3

InChIKey

SJOLEHYHMOBNIB-UHFFFAOYSA-N

Compound name

6-methoxy-2,3-dihydro-1H-indene-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
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]+	247.019026	150.7
[M+Na]+	269.000968	161.6
[M-H]-	245.004474	156.1
[M+NH4]+	264.045573	172.9
[M+K]+	284.974908	157.4
[M+H-H2O]+	229.009010	147.3
[M+HCOO]-	291.009951	163.9
[M+CH3COO]-	305.025601	186.8
[M+Na-2H]-	266.986416	154.3
[M]+	246.01120142	156.8
[M]-	246.01229858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe