CID 109681

Trichloracetaldehyde di(phenylethyl)acetal

Structural Information

Molecular Formula
C18H19Cl3O2
SMILES
C1=CC=C(C=C1)CCOC(C(Cl)(Cl)Cl)OCCC2=CC=CC=C2
InChI
InChI=1S/C18H19Cl3O2/c19-18(20,21)17(22-13-11-15-7-3-1-4-8-15)23-14-12-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKey
LMQHAMIDZPBQNY-UHFFFAOYSA-N
Compound name
2-[2,2,2-trichloro-1-(2-phenylethoxy)ethoxy]ethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

372.04507 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.05235 186.1
[M+Na]+ 395.03429 201.0
[M+NH4]+ 390.07889 194.6
[M+K]+ 411.00823 191.0
[M-H]- 371.03779 189.5
[M+Na-2H]- 393.01974 194.6
[M]+ 372.04452 190.3
[M]- 372.04562 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.