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

19
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

literature stripe

Patent stripe

patents stripe