CID 4582574

2,4,6-trichlorobenzyl alcohol

Structural Information

Molecular Formula
C7H5Cl3O
SMILES
C1=C(C=C(C(=C1Cl)CO)Cl)Cl
InChI
InChI=1S/C7H5Cl3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,11H,3H2
InChIKey
WKJWKKDGJLKFER-UHFFFAOYSA-N
Compound name
(2,4,6-trichlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

202
Patents

209.9406 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.94788 134.5
[M+Na]+ 232.92982 146.0
[M-H]- 208.93332 135.8
[M+NH4]+ 227.97442 154.5
[M+K]+ 248.90376 139.9
[M+H-H2O]+ 192.93786 132.5
[M+HCOO]- 254.93880 143.3
[M+CH3COO]- 268.95445 182.6
[M+Na-2H]- 230.91527 139.0
[M]+ 209.94005 137.2
[M]- 209.94115 137.2
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