CID 19577741

5-bromo-3-iodo-2-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H6BrIO2
SMILES
COC1=C(C=C(C=C1I)Br)C=O
InChI
InChI=1S/C8H6BrIO2/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-4H,1H3
InChIKey
DWCUASQBQQZNIQ-UHFFFAOYSA-N
Compound name
5-bromo-3-iodo-2-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

339.8596 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.866876 146.9
[M+Na]+ 362.848818 153.3
[M-H]- 338.852324 147.1
[M+NH4]+ 357.893423 164.1
[M+K]+ 378.822758 148.7
[M+H-H2O]+ 322.856860 143.6
[M+HCOO]- 384.857801 164.5
[M+CH3COO]- 398.873451 195.8
[M+Na-2H]- 360.834266 142.6
[M]+ 339.85905142 164.5
[M]- 339.86014858 164.5
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