CID 74890120

6-bromo-2,3-dichlorobenzaldehyde

Structural Information

Molecular Formula
C7H3BrCl2O
SMILES
C1=CC(=C(C(=C1Cl)Cl)C=O)Br
InChI
InChI=1S/C7H3BrCl2O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H
InChIKey
YUSBVIYVLAAAHY-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dichlorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

251.87444 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.881716 134.9
[M+Na]+ 274.863658 150.8
[M-H]- 250.867164 141.5
[M+NH4]+ 269.908263 157.7
[M+K]+ 290.837598 136.8
[M+H-H2O]+ 234.871700 137.6
[M+HCOO]- 296.872641 148.7
[M+CH3COO]- 310.888291 188.6
[M+Na-2H]- 272.849106 142.4
[M]+ 251.87389142 156.9
[M]- 251.87498858 156.9
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