CID 84038506

1695567-81-7

Structural Information

Molecular Formula

C₈H₆BrFO₂

SMILES

COC1=C(C=CC(=C1F)Br)C=O

InChI

InChI=1S/C8H6BrFO2/c1-12-8-5(4-11)2-3-6(9)7(8)10/h2-4H,1H3

InChIKey

PYWGJFVEOGVKSP-UHFFFAOYSA-N

Compound name

4-bromo-3-fluoro-2-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 231.95352 Da
Monoisotopic Mass: 2.1
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]+	232.96080	141.2
[M+Na]+	254.94274	145.0
[M+NH4]+	249.98734	145.5
[M+K]+	270.91668	144.6
[M-H]-	230.94624	140.5
[M+Na-2H]-	252.92819	144.2
[M]+	231.95297	140.3
[M]-	231.95407	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe