CID 13284272

2-bromo-5-chlorophenol

Structural Information

Molecular Formula
C6H4BrClO
SMILES
C1=CC(=C(C=C1Cl)O)Br
InChI
InChI=1S/C6H4BrClO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H
InChIKey
FMRKYXVZQWHGDA-UHFFFAOYSA-N
Compound name
2-bromo-5-chlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

558
Patents

205.9134 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.92068 128.7
[M+Na]+ 228.90262 142.8
[M-H]- 204.90612 134.5
[M+NH4]+ 223.94722 152.0
[M+K]+ 244.87656 130.2
[M+H-H2O]+ 188.91066 130.8
[M+HCOO]- 250.91160 146.1
[M+CH3COO]- 264.92725 178.6
[M+Na-2H]- 226.88807 137.3
[M]+ 205.91285 148.2
[M]- 205.91395 148.2
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