CID 2773508

Benzene, 1-chloro-2,4-difluoro-3-methoxy-

Structural Information

Molecular Formula

C₇H₅ClF₂O

SMILES

COC1=C(C=CC(=C1F)Cl)F

InChI

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

InChIKey

DYTKOWZSDUEQBQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
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]+	179.006976	126.1
[M+Na]+	200.988918	138.1
[M-H]-	176.992424	128.1
[M+NH4]+	196.033523	147.9
[M+K]+	216.962858	134.5
[M+H-H2O]+	160.996960	120.5
[M+HCOO]-	222.997901	145.0
[M+CH3COO]-	237.013551	180.1
[M+Na-2H]-	198.974366	132.0
[M]+	177.99915142	127.6
[M]-	178.00024858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe