CID 2779258

3-chloro-5-fluoroanisole

Structural Information

Molecular Formula

SMILES

COC1=CC(=CC(=C1)Cl)F

InChI

InChI=1S/C7H6ClFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3

InChIKey

XPZBNEWAZPZUHF-UHFFFAOYSA-N

Compound name

1-chloro-3-fluoro-5-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 61
Patents: 160.00912 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]+	161.01640	125.6
[M+Na]+	182.99834	140.0
[M+NH4]+	178.04294	135.0
[M+K]+	198.97228	132.7
[M-H]-	159.00184	127.2
[M+Na-2H]-	180.98379	133.5
[M]+	160.00857	128.4
[M]-	160.00967	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe