CID 130985767

1803713-69-0

Structural Information

Molecular Formula

C₇H₂Br₂F₂O

SMILES

C1=C(C(=C(C(=C1Br)F)C=O)F)Br

InChI

InChI=1S/C7H2Br2F2O/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1-2H

InChIKey

RKKRYHJAZAXUNN-UHFFFAOYSA-N

Compound name

3,5-dibromo-2,6-difluorobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.84406 Da
Monoisotopic Mass: 3.0
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]+	298.85134	137.4
[M+Na]+	320.83328	150.8
[M-H]-	296.83678	143.0
[M+NH4]+	315.87788	157.1
[M+K]+	336.80722	134.9
[M+H-H2O]+	280.84132	144.5
[M+HCOO]-	342.84226	153.1
[M+CH3COO]-	356.85791	203.9
[M+Na-2H]-	318.81873	143.5
[M]+	297.84351	170.4
[M]-	297.84461	170.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.