CID 14793914

118754-52-2

Structural Information

Molecular Formula

C₈H₃Cl₂F₃O

SMILES

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

InChI

InChI=1S/C8H3Cl2F3O/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-3H

InChIKey

QIZGUWRKKZYYJA-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-(trifluoromethyl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 241.95131 Da
Monoisotopic Mass: 3.5
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]+	242.95859	137.8
[M+Na]+	264.94053	150.4
[M-H]-	240.94403	137.9
[M+NH4]+	259.98513	157.3
[M+K]+	280.91447	144.4
[M+H-H2O]+	224.94857	132.2
[M+HCOO]-	286.94951	148.8
[M+CH3COO]-	300.96516	189.3
[M+Na-2H]-	262.92598	142.4
[M]+	241.95076	138.3
[M]-	241.95186	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe