CID 118682

34425-84-8

Structural Information

Molecular Formula
C8H8Cl2O
SMILES
CC1=CC(=C(C(=C1Cl)O)Cl)C
InChI
InChI=1S/C8H8Cl2O/c1-4-3-5(2)7(10)8(11)6(4)9/h3,11H,1-2H3
InChIKey
PRIUZKZUQWJQAA-UHFFFAOYSA-N
Compound name
2,6-dichloro-3,5-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

189.99522 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.002496 132.1
[M+Na]+ 212.984438 144.3
[M-H]- 188.987944 135.0
[M+NH4]+ 208.029043 153.5
[M+K]+ 228.958378 139.0
[M+H-H2O]+ 172.992480 129.7
[M+HCOO]- 234.993421 146.1
[M+CH3COO]- 249.009071 181.0
[M+Na-2H]- 210.969886 136.6
[M]+ 189.99467142 135.7
[M]- 189.99576858 135.7
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