CID 87460

2,5-dichloro-4-methoxyphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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

literature stripe

Patent stripe

patents stripe