CID 13292926

4-fluorobenzyl carbonochloridate

Structural Information

Molecular Formula

C₈H₆ClFO₂

SMILES

C1=CC(=CC=C1COC(=O)Cl)F

InChI

InChI=1S/C8H6ClFO2/c9-8(11)12-5-6-1-3-7(10)4-2-6/h1-4H,5H2

InChIKey

CNDKJCOMEMJVKI-UHFFFAOYSA-N

Compound name

(4-fluorophenyl)methyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 188.00403 Da
Monoisotopic Mass: 3.3
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]+	189.01131	131.8
[M+Na]+	210.99325	141.6
[M-H]-	186.99675	134.5
[M+NH4]+	206.03785	152.6
[M+K]+	226.96719	138.4
[M+H-H2O]+	171.00129	126.5
[M+HCOO]-	233.00223	150.9
[M+CH3COO]-	247.01788	179.3
[M+Na-2H]-	208.97870	137.8
[M]+	188.00348	134.2
[M]-	188.00458	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe