CID 20115199

1016534-67-0

Structural Information

Molecular Formula

C₁₂H₁₅ClO₄S

SMILES

CC1=C(C=CC(=C1)OCC2CCCO2)S(=O)(=O)Cl

InChI

InChI=1S/C12H15ClO4S/c1-9-7-10(4-5-12(9)18(13,14)15)17-8-11-3-2-6-16-11/h4-5,7,11H,2-3,6,8H2,1H3

InChIKey

CVVUPNAYMONYOW-UHFFFAOYSA-N

Compound name

2-methyl-4-(oxolan-2-ylmethoxy)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.03796 Da
Monoisotopic Mass: 2.7
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]+	291.045236	162.3
[M+Na]+	313.027178	171.2
[M-H]-	289.030684	170.2
[M+NH4]+	308.071783	180.0
[M+K]+	329.001118	168.3
[M+H-H2O]+	273.035220	157.7
[M+HCOO]-	335.036161	174.6
[M+CH3COO]-	349.051811	193.5
[M+Na-2H]-	311.012626	164.2
[M]+	290.03741142	168.2
[M]-	290.03850858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.