CID 86058296

2,6-dibromo-4-hydroxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

277.8578 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.865076 132.7
[M+Na]+ 300.847018 144.8
[M-H]- 276.850524 139.0
[M+NH4]+ 295.891623 152.3
[M+K]+ 316.820958 129.2
[M+H-H2O]+ 260.855060 141.1
[M+HCOO]- 322.856001 149.0
[M+CH3COO]- 336.871651 198.4
[M+Na-2H]- 298.832466 140.1
[M]+ 277.85725142 166.9
[M]- 277.85834858 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

No literature data available for this compound.

Patent stripe

patents stripe