CID 67205956

4,5-dichloro-2-(hydroxymethyl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

191.97449 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98177 131.3
[M+Na]+ 214.96371 142.6
[M-H]- 190.96721 132.7
[M+NH4]+ 210.00831 151.6
[M+K]+ 230.93765 137.1
[M+H-H2O]+ 174.97175 129.0
[M+HCOO]- 236.97269 144.5
[M+CH3COO]- 250.98834 176.3
[M+Na-2H]- 212.94916 136.5
[M]+ 191.97394 133.8
[M]- 191.97504 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