CID 118399

33129-84-9

Structural Information

Molecular Formula

C₁₁H₁₃ClO₂

SMILES

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

InChI

InChI=1S/C11H13ClO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h4-7H,1-3H3

InChIKey

TZHHLZDMODPXGC-UHFFFAOYSA-N

Compound name

(4-tert-butylphenyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 212.06041 Da
Monoisotopic Mass: 4.3
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]+	213.06769	143.5
[M+Na]+	235.04963	152.5
[M-H]-	211.05313	147.6
[M+NH4]+	230.09423	163.7
[M+K]+	251.02357	149.5
[M+H-H2O]+	195.05767	139.2
[M+HCOO]-	257.05861	161.1
[M+CH3COO]-	271.07426	185.3
[M+Na-2H]-	233.03508	149.2
[M]+	212.05986	147.6
[M]-	212.06096	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe