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 182.4
[M+Na]+ 395.03429 188.7
[M-H]- 371.03779 186.3
[M+NH4]+ 390.07889 195.7
[M+K]+ 411.00823 181.9
[M+H-H2O]+ 355.04233 176.1
[M+HCOO]- 417.04327 188.3
[M+CH3COO]- 431.05892 211.2
[M+Na-2H]- 393.01974 185.4
[M]+ 372.04452 188.4
[M]- 372.04562 188.4
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.