CID 15581467

2,4-dichloro-5-methoxyphenol

Structural Information

Molecular Formula
C7H6Cl2O2
SMILES
COC1=C(C=C(C(=C1)O)Cl)Cl
InChI
InChI=1S/C7H6Cl2O2/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3,10H,1H3
InChIKey
PTQSMAIBWQQYKJ-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

191.97449 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.981766 130.8
[M+Na]+ 214.963708 142.5
[M-H]- 190.967214 133.6
[M+NH4]+ 210.008313 151.8
[M+K]+ 230.937648 137.9
[M+H-H2O]+ 174.971750 128.1
[M+HCOO]- 236.972691 145.4
[M+CH3COO]- 250.988341 178.8
[M+Na-2H]- 212.949156 136.5
[M]+ 191.97394142 135.1
[M]- 191.97503858 135.1
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

patents stripe