CID 17750758

5-chloro-2-(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula

C₈H₄ClF₃O

SMILES

C1=CC(=C(C=C1Cl)C=O)C(F)(F)F

InChI

InChI=1S/C8H4ClF3O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-4H

InChIKey

CVRLMVFONQYBOC-UHFFFAOYSA-N

Compound name

5-chloro-2-(trifluoromethyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 217
Patents: 207.99028 Da
Monoisotopic Mass: 2.9
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]+	208.99756	141.1
[M+Na]+	230.97950	152.1
[M+NH4]+	226.02410	147.6
[M+K]+	246.95344	146.0
[M-H]-	206.98300	138.5
[M+Na-2H]-	228.96495	146.2
[M]+	207.98973	142.0
[M]-	207.99083	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe