CID 22630180

3-bromo-5-chlorophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

505
Patents

205.9134 Da
Monoisotopic Mass

3.7
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

literature stripe

Patent stripe

patents stripe