CID 73553478

2,3-dibromo-6-fluorobenzaldehyde

Structural Information

Molecular Formula

C₇H₃Br₂FO

SMILES

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

InChI

InChI=1S/C7H3Br2FO/c8-5-1-2-6(10)4(3-11)7(5)9/h1-3H

InChIKey

QTVVPBMPZHXDOP-UHFFFAOYSA-N

Compound name

2,3-dibromo-6-fluorobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 279.8535 Da
Monoisotopic Mass: 2.9
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]+	280.86078	133.6
[M+Na]+	302.84272	146.4
[M-H]-	278.84622	140.1
[M+NH4]+	297.88732	153.8
[M+K]+	318.81666	130.9
[M+H-H2O]+	262.85076	141.6
[M+HCOO]-	324.85170	150.2
[M+CH3COO]-	338.86735	200.9
[M+Na-2H]-	300.82817	140.9
[M]+	279.85295	167.4
[M]-	279.85405	167.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe