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

1061
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

literature stripe

Patent stripe

patents stripe