CID 3506623

3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6Br2O3
SMILES
COC1=C(C=C(C(=C1Br)O)C=O)Br
InChI
InChI=1S/C8H6Br2O3/c1-13-8-5(9)2-4(3-11)7(12)6(8)10/h2-3,12H,1H3
InChIKey
SWPANPHWQRNQGO-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-hydroxy-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

307.86838 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.87566 137.9
[M+Na]+ 330.85760 150.1
[M-H]- 306.86110 144.2
[M+NH4]+ 325.90220 156.6
[M+K]+ 346.83154 134.7
[M+H-H2O]+ 290.86564 145.8
[M+HCOO]- 352.86658 153.9
[M+CH3COO]- 366.88223 203.2
[M+Na-2H]- 328.84305 144.3
[M]+ 307.86783 173.6
[M]- 307.86893 173.6
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.