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 136.0
[M+Na]+ 248.92474 148.7
[M-H]- 224.92824 136.8
[M+NH4]+ 243.96934 155.3
[M+K]+ 264.89868 142.6
[M+H-H2O]+ 208.93278 134.9
[M+HCOO]- 270.93372 143.6
[M+CH3COO]- 284.94937 184.4
[M+Na-2H]- 246.91019 138.8
[M]+ 225.93497 139.1
[M]- 225.93607 139.1
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.