CID 124201914

4-bromo-2-hydroxy-5-iodobenzaldehyde

Structural Information

Molecular Formula
C7H4BrIO2
SMILES
C1=C(C(=CC(=C1I)Br)O)C=O
InChI
InChI=1S/C7H4BrIO2/c8-5-2-7(11)4(3-10)1-6(5)9/h1-3,11H
InChIKey
JXYSQLKGEVDNDU-UHFFFAOYSA-N
Compound name
4-bromo-2-hydroxy-5-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.84393 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.85121 144.1
[M+Na]+ 348.83315 150.4
[M-H]- 324.83665 143.2
[M+NH4]+ 343.87775 161.1
[M+K]+ 364.80709 145.2
[M+H-H2O]+ 308.84119 141.0
[M+HCOO]- 370.84213 160.6
[M+CH3COO]- 384.85778 190.8
[M+Na-2H]- 346.81860 139.7
[M]+ 325.84338 159.6
[M]- 325.84448 159.6
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.