CID 40773

(trichloromethoxy)benzene

Structural Information

Molecular Formula
C7H5Cl3O
SMILES
C1=CC=C(C=C1)OC(Cl)(Cl)Cl
InChI
InChI=1S/C7H5Cl3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
InChIKey
CLYZNABPUKUSDX-UHFFFAOYSA-N
Compound name
trichloromethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

957
Patents

209.9406 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.94788 139.5
[M+Na]+ 232.92982 154.4
[M+NH4]+ 227.97442 149.2
[M+K]+ 248.90376 146.3
[M-H]- 208.93332 141.3
[M+Na-2H]- 230.91527 147.7
[M]+ 209.94005 143.1
[M]- 209.94115 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe