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]+ 236.93125 135.2
[M+Na]+ 258.91319 149.7
[M-H]- 234.91669 141.2
[M+NH4]+ 253.95779 157.6
[M+K]+ 274.88713 137.3
[M+H-H2O]+ 218.92123 137.1
[M+HCOO]- 280.92217 152.5
[M+CH3COO]- 294.93782 184.4
[M+Na-2H]- 256.89864 142.7
[M]+ 235.92342 156.8
[M]- 235.92452 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.