CID 12595099

2,3,4-trichlorobenzyl alcohol

Structural Information

Molecular Formula
C7H5Cl3O
SMILES
C1=CC(=C(C(=C1CO)Cl)Cl)Cl
InChI
InChI=1S/C7H5Cl3O/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2,11H,3H2
InChIKey
JBPHHMDTDHMBQN-UHFFFAOYSA-N
Compound name
(2,3,4-trichlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

209.9406 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.947876 134.5
[M+Na]+ 232.929818 146.0
[M-H]- 208.933324 135.8
[M+NH4]+ 227.974423 154.5
[M+K]+ 248.903758 139.9
[M+H-H2O]+ 192.937860 132.5
[M+HCOO]- 254.938801 143.3
[M+CH3COO]- 268.954451 182.6
[M+Na-2H]- 230.915266 139.0
[M]+ 209.94005142 137.2
[M]- 209.94114858 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

No literature data available for this compound.

Patent stripe

patents stripe