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
3
Annotation Hits

6
References

1196
Patents

209.9406 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.947876 137.0
[M+Na]+ 232.929818 146.8
[M-H]- 208.933324 139.1
[M+NH4]+ 227.974423 157.0
[M+K]+ 248.903758 141.7
[M+H-H2O]+ 192.937860 134.1
[M+HCOO]- 254.938801 145.6
[M+CH3COO]- 268.954451 181.6
[M+Na-2H]- 230.915266 144.3
[M]+ 209.94005142 139.9
[M]- 209.94114858 139.9
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