CID 84700325

2-bromo-4-chloro-6-methoxyphenol

Structural Information

Molecular Formula
C7H6BrClO2
SMILES
COC1=C(C(=CC(=C1)Cl)Br)O
InChI
InChI=1S/C7H6BrClO2/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3,10H,1H3
InChIKey
GPQQAEVNTJVZBR-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.92397 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.931246 135.2
[M+Na]+ 258.913188 149.7
[M-H]- 234.916694 141.2
[M+NH4]+ 253.957793 157.6
[M+K]+ 274.887128 137.3
[M+H-H2O]+ 218.921230 137.1
[M+HCOO]- 280.922171 152.5
[M+CH3COO]- 294.937821 184.4
[M+Na-2H]- 256.898636 142.7
[M]+ 235.92342142 156.8
[M]- 235.92451858 156.8
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.