CID 57271946

68622-07-1

Structural Information

Molecular Formula

C₇H₄ClFO₂

SMILES

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

InChI

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

InChIKey

UIEYPDNYJMIKMW-UHFFFAOYSA-N

Compound name

(3-fluorophenyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 173.98839 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]+	174.995666	127.0
[M+Na]+	196.977608	137.2
[M-H]-	172.981114	129.9
[M+NH4]+	192.022213	148.4
[M+K]+	212.951548	134.3
[M+H-H2O]+	156.985650	121.9
[M+HCOO]-	218.986591	146.4
[M+CH3COO]-	233.002241	176.3
[M+Na-2H]-	194.963056	133.6
[M]+	173.98784142	129.0
[M]-	173.98893858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe