CID 214771

Brn 0290373

Structural Information

Molecular Formula
C16H13Cl3O3
SMILES
COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)C(Cl)(Cl)Cl
InChI
InChI=1S/C16H13Cl3O3/c1-20-12-5-2-10(3-6-12)15(16(17,18)19)11-4-7-13-14(8-11)22-9-21-13/h2-8,15H,9H2,1H3
InChIKey
UTAWBZVOYCXCQJ-UHFFFAOYSA-N
Compound name
5-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.99304 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.00032 179.6
[M+Na]+ 380.98226 188.7
[M-H]- 356.98576 186.5
[M+NH4]+ 376.02686 193.9
[M+K]+ 396.95620 185.0
[M+H-H2O]+ 340.99030 174.7
[M+HCOO]- 402.99124 183.2
[M+CH3COO]- 417.00689 190.2
[M+Na-2H]- 378.96771 182.9
[M]+ 357.99249 186.2
[M]- 357.99359 186.2
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.