CID 116143

Resorcinol, 5-methyl-2,4,6-trichloro-

Structural Information

Molecular Formula
C7H5Cl3O2
SMILES
CC1=C(C(=C(C(=C1Cl)O)Cl)O)Cl
InChI
InChI=1S/C7H5Cl3O2/c1-2-3(8)6(11)5(10)7(12)4(2)9/h11-12H,1H3
InChIKey
ADPSWGPDSRWGHE-UHFFFAOYSA-N
Compound name
2,4,6-trichloro-5-methylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.93552 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.94280 138.9
[M+Na]+ 248.92474 154.3
[M+NH4]+ 243.96934 147.6
[M+K]+ 264.89868 147.4
[M-H]- 224.92824 140.1
[M+Na-2H]- 246.91019 144.9
[M]+ 225.93497 142.4
[M]- 225.93607 142.4
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

No patent data available for this compound.