CID 11460592

2,4-dibromo-5-methoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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

literature stripe

Patent stripe

patents stripe