CID 86058287

2,4-dibromo-6-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6Br2O2
SMILES
COC1=C(C(=CC(=C1)Br)Br)C=O
InChI
InChI=1S/C8H6Br2O2/c1-12-8-3-5(9)2-7(10)6(8)4-11/h2-4H,1H3
InChIKey
UWUZSGGJJFNBNC-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

291.87344 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.88072 135.3
[M+Na]+ 314.86266 147.6
[M-H]- 290.86616 142.7
[M+NH4]+ 309.90726 155.1
[M+K]+ 330.83660 132.6
[M+H-H2O]+ 274.87070 143.6
[M+HCOO]- 336.87164 152.6
[M+CH3COO]- 350.88729 202.6
[M+Na-2H]- 312.84811 142.8
[M]+ 291.87289 171.3
[M]- 291.87399 171.3
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