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: 78
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	133.1
[M+Na]+	210.99325	146.2
[M+NH4]+	206.03785	141.4
[M+K]+	226.96719	139.6
[M-H]-	186.99675	133.6
[M+Na-2H]-	208.97870	139.9
[M]+	188.00348	135.3
[M]-	188.00458	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe