CID 176409

2,6-dichloro-4-(hydroxymethyl)phenol

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

85
Patents

191.97449 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98177 132.1
[M+Na]+ 214.96371 146.9
[M+NH4]+ 210.00831 141.1
[M+K]+ 230.93765 140.0
[M-H]- 190.96721 133.6
[M+Na-2H]- 212.94916 138.8
[M]+ 191.97394 135.2
[M]- 191.97504 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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