CID 302625

2,6-dichloro-3-fluorobenzoic acid

Structural Information

Molecular Formula

C₇H₃Cl₂FO₂

SMILES

C1=CC(=C(C(=C1F)Cl)C(=O)O)Cl

InChI

InChI=1S/C7H3Cl2FO2/c8-3-1-2-4(10)6(9)5(3)7(11)12/h1-2H,(H,11,12)

InChIKey

NMFMJSSFYLXQAO-UHFFFAOYSA-N

Compound name

2,6-dichloro-3-fluorobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 207.94942 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]+	208.95670	132.4
[M+Na]+	230.93864	146.3
[M+NH4]+	225.98324	140.5
[M+K]+	246.91258	140.1
[M-H]-	206.94214	132.4
[M+Na-2H]-	228.92409	138.6
[M]+	207.94887	134.9
[M]-	207.94997	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe