CID 247903

2,4-dichloro-3,5,6-trimethylphenol

Structural Information

Molecular Formula
C9H10Cl2O
SMILES
CC1=C(C(=C(C(=C1O)Cl)C)Cl)C
InChI
InChI=1S/C9H10Cl2O/c1-4-5(2)9(12)8(11)6(3)7(4)10/h12H,1-3H3
InChIKey
YYJLTJNUMBZDQC-UHFFFAOYSA-N
Compound name
2,4-dichloro-3,5,6-trimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

204.01086 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.018136 136.0
[M+Na]+ 227.000078 148.7
[M-H]- 203.003584 139.1
[M+NH4]+ 222.044683 157.2
[M+K]+ 242.974018 143.2
[M+H-H2O]+ 187.008120 133.7
[M+HCOO]- 249.009061 149.6
[M+CH3COO]- 263.024711 185.2
[M+Na-2H]- 224.985526 139.3
[M]+ 204.01031142 140.3
[M]- 204.01140858 140.3
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