CID 131336334

2-bromo-4-chloro-5-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H4BrClO2
SMILES
C1=C(C(=CC(=C1O)Cl)Br)C=O
InChI
InChI=1S/C7H4BrClO2/c8-5-2-6(9)7(11)1-4(5)3-10/h1-3,11H
InChIKey
HTXLIBWANWNYOX-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-5-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.90833 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.91561 136.4
[M+Na]+ 256.89755 141.6
[M+NH4]+ 251.94215 141.6
[M+K]+ 272.87149 141.1
[M-H]- 232.90105 136.8
[M+Na-2H]- 254.88300 140.2
[M]+ 233.90778 136.4
[M]- 233.90888 136.4
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.