CID 735455

3,5-dibromo-2,4-dihydroxybenzaldehyde

Structural Information

Molecular Formula
C7H4Br2O3
SMILES
C1=C(C(=C(C(=C1Br)O)Br)O)C=O
InChI
InChI=1S/C7H4Br2O3/c8-4-1-3(2-10)6(11)5(9)7(4)12/h1-2,11-12H
InChIKey
JEFPULPKKGELPK-UHFFFAOYSA-N
Compound name
3,5-dibromo-2,4-dihydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

293.85272 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.86000 135.3
[M+Na]+ 316.84194 147.3
[M-H]- 292.84544 140.6
[M+NH4]+ 311.88654 153.8
[M+K]+ 332.81588 131.3
[M+H-H2O]+ 276.84998 143.3
[M+HCOO]- 338.85092 150.3
[M+CH3COO]- 352.86657 199.0
[M+Na-2H]- 314.82739 141.5
[M]+ 293.85217 169.2
[M]- 293.85327 169.2
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.