CID 200803

2,4,6-tribromo-3-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H3Br3O2
SMILES
C1=C(C(=C(C(=C1Br)O)Br)C=O)Br
InChI
InChI=1S/C7H3Br3O2/c8-4-1-5(9)7(12)6(10)3(4)2-11/h1-2,12H
InChIKey
FAWOIFAFFUDNJX-UHFFFAOYSA-N
Compound name
2,4,6-tribromo-3-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

355.7683 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.77558 135.4
[M+Na]+ 378.75752 144.3
[M-H]- 354.76102 140.6
[M+NH4]+ 373.80212 150.2
[M+K]+ 394.73146 128.8
[M+H-H2O]+ 338.76556 150.2
[M+HCOO]- 400.76650 145.6
[M+CH3COO]- 414.78215 218.7
[M+Na-2H]- 376.74297 140.7
[M]+ 355.76775 176.4
[M]- 355.76885 176.4
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