CID 59309611

2,3-difluoro-6-methoxybenzyl chloride

Structural Information

Molecular Formula

C₈H₇ClF₂O

SMILES

COC1=C(C(=C(C=C1)F)F)CCl

InChI

InChI=1S/C8H7ClF2O/c1-12-7-3-2-6(10)8(11)5(7)4-9/h2-3H,4H2,1H3

InChIKey

BVPIEXVRGAEGBO-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-1,2-difluoro-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 192.01535 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]+	193.02263	134.5
[M+Na]+	215.00457	147.6
[M+NH4]+	210.04917	142.6
[M+K]+	230.97851	140.5
[M-H]-	191.00807	134.3
[M+Na-2H]-	212.99002	140.8
[M]+	192.01480	136.5
[M]-	192.01590	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe