CID 55253114

2,6-dichloro-4-hydroxybenzyl alcohol

Structural Information

Molecular Formula
C7H6Cl2O2
SMILES
C1=C(C=C(C(=C1Cl)CO)Cl)O
InChI
InChI=1S/C7H6Cl2O2/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,10-11H,3H2
InChIKey
BSGDGPHCFWORGF-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

191.97449 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.981766 131.3
[M+Na]+ 214.963708 142.6
[M-H]- 190.967214 132.7
[M+NH4]+ 210.008313 151.6
[M+K]+ 230.937648 137.1
[M+H-H2O]+ 174.971750 129.0
[M+HCOO]- 236.972691 144.5
[M+CH3COO]- 250.988341 176.3
[M+Na-2H]- 212.949156 136.5
[M]+ 191.97394142 133.8
[M]- 191.97503858 133.8
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