CID 2716695

5-bromo-2-hydroxy-3-iodobenzaldehyde

Structural Information

Molecular Formula
C7H4BrIO2
SMILES
C1=C(C=C(C(=C1C=O)O)I)Br
InChI
InChI=1S/C7H4BrIO2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKey
VYKYVFPHGKLLDF-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-3-iodobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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

literature stripe

Patent stripe

patents stripe