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]+ 340.86688 146.9
[M+Na]+ 362.84882 153.3
[M-H]- 338.85232 147.1
[M+NH4]+ 357.89342 164.1
[M+K]+ 378.82276 148.7
[M+H-H2O]+ 322.85686 143.6
[M+HCOO]- 384.85780 164.5
[M+CH3COO]- 398.87345 195.8
[M+Na-2H]- 360.83427 142.6
[M]+ 339.85905 164.5
[M]- 339.86015 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