CID 13210231

88041-83-2

Structural Information

Molecular Formula

C₁₁H₁₅ClO₃S

SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)S(=O)(=O)Cl

InChI

InChI=1S/C11H15ClO3S/c1-11(2,3)8-5-6-9(15-4)10(7-8)16(12,13)14/h5-7H,1-4H3

InChIKey

MMKJABSTFRSIQT-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-methoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 262.04303 Da
Monoisotopic Mass: 3.6
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]+	263.050306	153.5
[M+Na]+	285.032248	163.7
[M-H]-	261.035754	158.3
[M+NH4]+	280.076853	172.4
[M+K]+	301.006188	159.8
[M+H-H2O]+	245.040290	149.4
[M+HCOO]-	307.041231	165.6
[M+CH3COO]-	321.056881	191.8
[M+Na-2H]-	283.017696	157.6
[M]+	262.04248142	160.8
[M]-	262.04357858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe