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
2
Annotation Hits

6
References

1186
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 137.0
[M+Na]+ 232.92982 146.8
[M-H]- 208.93332 139.1
[M+NH4]+ 227.97442 157.0
[M+K]+ 248.90376 141.7
[M+H-H2O]+ 192.93786 134.1
[M+HCOO]- 254.93880 145.6
[M+CH3COO]- 268.95445 181.6
[M+Na-2H]- 230.91527 144.3
[M]+ 209.94005 139.9
[M]- 209.94115 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.