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

1427
Patents

175.97957 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.98685 128.8
[M+Na]+ 198.96879 144.6
[M+NH4]+ 194.01339 138.7
[M+K]+ 214.94273 136.9
[M-H]- 174.97229 131.3
[M+Na-2H]- 196.95424 136.6
[M]+ 175.97902 132.5
[M]- 175.98012 132.5
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