CID 2773506

2-chloro-3,6-difluoroanisole

Structural Information

Molecular Formula

C₇H₅ClF₂O

SMILES

COC1=C(C=CC(=C1Cl)F)F

InChI

InChI=1S/C7H5ClF2O/c1-11-7-5(10)3-2-4(9)6(7)8/h2-3H,1H3

InChIKey

LLMVUPUEULMHRP-UHFFFAOYSA-N

Compound name

2-chloro-1,4-difluoro-3-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 177.9997 Da
Monoisotopic Mass: 2.7
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]+	179.00698	129.9
[M+Na]+	200.98892	143.3
[M+NH4]+	196.03352	138.2
[M+K]+	216.96286	136.4
[M-H]-	176.99242	129.8
[M+Na-2H]-	198.97437	136.5
[M]+	177.99915	132.0
[M]-	178.00025	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe