CID 15292

2,4-dichloro-6-methylphenol

Structural Information

Molecular Formula
C7H6Cl2O
SMILES
CC1=CC(=CC(=C1O)Cl)Cl
InChI
InChI=1S/C7H6Cl2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3
InChIKey
WJQZZLQMLJPKQH-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1413
Patents

175.97957 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.986846 128.1
[M+Na]+ 198.968788 139.9
[M-H]- 174.972294 130.8
[M+NH4]+ 194.013393 149.8
[M+K]+ 214.942728 134.7
[M+H-H2O]+ 158.976830 125.6
[M+HCOO]- 220.977771 142.4
[M+CH3COO]- 234.993421 176.9
[M+Na-2H]- 196.954236 133.8
[M]+ 175.97902142 130.9
[M]- 175.98011858 130.9
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