CID 131347936

3,6-dibromo-2-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6Br2O2
SMILES
COC1=C(C=CC(=C1C=O)Br)Br
InChI
InChI=1S/C8H6Br2O2/c1-12-8-5(4-11)6(9)2-3-7(8)10/h2-4H,1H3
InChIKey
IHSBUQBLRUCONG-UHFFFAOYSA-N
Compound name
3,6-dibromo-2-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.87344 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.880716 135.3
[M+Na]+ 314.862658 147.6
[M-H]- 290.866164 142.7
[M+NH4]+ 309.907263 155.1
[M+K]+ 330.836598 132.6
[M+H-H2O]+ 274.870700 143.6
[M+HCOO]- 336.871641 152.6
[M+CH3COO]- 350.887291 202.6
[M+Na-2H]- 312.848106 142.8
[M]+ 291.87289142 171.3
[M]- 291.87398858 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

No patent data available for this compound.