CID 18755413

131782-52-0

Structural Information

Molecular Formula

C₈H₇ClF₂O

SMILES

COC1=C(C=C(C=C1F)F)CCl

InChI

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

InChIKey

VQHXQAPSSNZGLP-UHFFFAOYSA-N

Compound name

1-(chloromethyl)-3,5-difluoro-2-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
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	131.0
[M+Na]+	215.00457	142.5
[M-H]-	191.00807	132.8
[M+NH4]+	210.04917	152.2
[M+K]+	230.97851	138.6
[M+H-H2O]+	175.01261	125.1
[M+HCOO]-	237.01355	149.5
[M+CH3COO]-	251.02920	183.1
[M+Na-2H]-	212.99002	136.2
[M]+	192.01480	132.8
[M]-	192.01590	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe