CID 2760718

4'-trifluoromethoxy-biphenyl-2-carbaldehyde

Structural Information

Molecular Formula

C₁₄H₉F₃O₂

SMILES

C1=CC=C(C(=C1)C=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C14H9F3O2/c15-14(16,17)19-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-18/h1-9H

InChIKey

GFDYSHSBKDFJJD-UHFFFAOYSA-N

Compound name

2-[4-(trifluoromethoxy)phenyl]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 266.05545 Da
Monoisotopic Mass: 4.2
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]+	267.06273	154.4
[M+Na]+	289.04467	163.8
[M-H]-	265.04817	157.6
[M+NH4]+	284.08927	170.9
[M+K]+	305.01861	159.5
[M+H-H2O]+	249.05271	144.7
[M+HCOO]-	311.05365	174.6
[M+CH3COO]-	325.06930	195.4
[M+Na-2H]-	287.03012	159.8
[M]+	266.05490	152.4
[M]-	266.05600	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe