CID 24721070

4-methoxy-3-(trifluoromethoxy)benzaldehyde

Structural Information

Molecular Formula

C₉H₇F₃O₃

SMILES

COC1=C(C=C(C=C1)C=O)OC(F)(F)F

InChI

InChI=1S/C9H7F3O3/c1-14-7-3-2-6(5-13)4-8(7)15-9(10,11)12/h2-5H,1H3

InChIKey

FFXBLEVIHWURLC-UHFFFAOYSA-N

Compound name

4-methoxy-3-(trifluoromethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 220.03473 Da
Monoisotopic Mass: 2.5
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]+	221.04201	149.1
[M+Na]+	243.02395	158.5
[M+NH4]+	238.06855	154.1
[M+K]+	258.99789	153.6
[M-H]-	219.02745	145.5
[M+Na-2H]-	241.00940	152.7
[M]+	220.03418	149.1
[M]-	220.03528	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe