CID 9543293

4,6-dichloro-3-methylcatechol

Structural Information

Molecular Formula
C7H6Cl2O2
SMILES
CC1=C(C(=C(C=C1Cl)Cl)O)O
InChI
InChI=1S/C7H6Cl2O2/c1-3-4(8)2-5(9)7(11)6(3)10/h2,10-11H,1H3
InChIKey
WHZYTTYRNXQNQF-UHFFFAOYSA-N
Compound name
4,6-dichloro-3-methylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

0
Patents

191.97449 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.981766 130.8
[M+Na]+ 214.963708 142.9
[M-H]- 190.967214 132.5
[M+NH4]+ 210.008313 151.4
[M+K]+ 230.937648 137.5
[M+H-H2O]+ 174.971750 128.7
[M+HCOO]- 236.972691 143.9
[M+CH3COO]- 250.988341 177.5
[M+Na-2H]- 212.949156 135.3
[M]+ 191.97394142 133.6
[M]- 191.97503858 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.