CID 109008

2,4-dichloro-6-methyl-3-(1-methylethyl)phenol

Structural Information

Molecular Formula
C10H12Cl2O
SMILES
CC1=CC(=C(C(=C1O)Cl)C(C)C)Cl
InChI
InChI=1S/C10H12Cl2O/c1-5(2)8-7(11)4-6(3)10(13)9(8)12/h4-5,13H,1-3H3
InChIKey
ZIFSLTRSCLGLBD-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-methyl-3-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

218.02652 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.033796 140.7
[M+Na]+ 241.015738 151.9
[M-H]- 217.019244 143.4
[M+NH4]+ 236.060343 161.0
[M+K]+ 256.989678 146.5
[M+H-H2O]+ 201.023780 138.0
[M+HCOO]- 263.024721 153.1
[M+CH3COO]- 277.040371 187.8
[M+Na-2H]- 239.001186 143.0
[M]+ 218.02597142 144.5
[M]- 218.02706858 144.5
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