CID 2733256

4-fluorophenyl chloroformate

Structural Information

Molecular Formula

C₇H₄ClFO₂

SMILES

C1=CC(=CC=C1OC(=O)Cl)F

InChI

InChI=1S/C7H4ClFO2/c8-7(10)11-6-3-1-5(9)2-4-6/h1-4H

InChIKey

MSBGPEACXKBQSX-UHFFFAOYSA-N

Compound name

(4-fluorophenyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3052
Patents: 173.98839 Da
Monoisotopic Mass: 2.5
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]+	174.99567	127.0
[M+Na]+	196.97761	137.2
[M-H]-	172.98111	129.9
[M+NH4]+	192.02221	148.4
[M+K]+	212.95155	134.3
[M+H-H2O]+	156.98565	121.9
[M+HCOO]-	218.98659	146.4
[M+CH3COO]-	233.00224	176.3
[M+Na-2H]-	194.96306	133.6
[M]+	173.98784	129.0
[M]-	173.98894	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe