CID 18700087

4-bromo-2-(trifluoromethoxy)benzaldehyde

Structural Information

Molecular Formula

C₈H₄BrF₃O₂

SMILES

C1=CC(=C(C=C1Br)OC(F)(F)F)C=O

InChI

InChI=1S/C8H4BrF3O2/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12/h1-4H

InChIKey

AXZVKHIUQLEMPJ-UHFFFAOYSA-N

Compound name

4-bromo-2-(trifluoromethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 269
Patents: 267.9347 Da
Monoisotopic Mass: 3.3
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]+	268.94198	156.9
[M+Na]+	290.92392	158.4
[M+NH4]+	285.96852	159.3
[M+K]+	306.89786	158.3
[M-H]-	266.92742	152.9
[M+Na-2H]-	288.90937	157.9
[M]+	267.93415	154.7
[M]-	267.93525	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe