CID 18100

3,5-dibromo-4-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H4Br2O2
SMILES
C1=C(C=C(C(=C1Br)O)Br)C=O
InChI
InChI=1S/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey
SXRHGLQCOLNZPT-UHFFFAOYSA-N
Compound name
3,5-dibromo-4-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

852
Patents

277.8578 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.86508 132.7
[M+Na]+ 300.84702 144.8
[M-H]- 276.85052 139.0
[M+NH4]+ 295.89162 152.3
[M+K]+ 316.82096 129.2
[M+H-H2O]+ 260.85506 141.1
[M+HCOO]- 322.85600 149.0
[M+CH3COO]- 336.87165 198.4
[M+Na-2H]- 298.83247 140.1
[M]+ 277.85725 166.9
[M]- 277.85835 166.9
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