CID 97569

O-isopropoxyphenyl chloroformate

Structural Information

Molecular Formula

C₁₀H₁₁ClO₃

SMILES

CC(C)OC1=CC=CC=C1OC(=O)Cl

InChI

InChI=1S/C10H11ClO3/c1-7(2)13-8-5-3-4-6-9(8)14-10(11)12/h3-7H,1-2H3

InChIKey

LCZRGRFZVSOZLO-UHFFFAOYSA-N

Compound name

(2-propan-2-yloxyphenyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 214.03967 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]+	215.046946	141.6
[M+Na]+	237.028888	150.2
[M-H]-	213.032394	145.6
[M+NH4]+	232.073493	161.4
[M+K]+	253.002828	148.0
[M+H-H2O]+	197.036930	136.9
[M+HCOO]-	259.037871	160.4
[M+CH3COO]-	273.053521	185.5
[M+Na-2H]-	235.014336	145.9
[M]+	214.03912142	146.8
[M]-	214.04021858	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe