CID 622053

3,4-dibromobenzaldehyde

Structural Information

Molecular Formula
C7H4Br2O
SMILES
C1=CC(=C(C=C1C=O)Br)Br
InChI
InChI=1S/C7H4Br2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKey
UTYRZXNEFUYFCJ-UHFFFAOYSA-N
Compound name
3,4-dibromobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

351
Patents

261.86288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.87016 139.6
[M+Na]+ 284.85210 135.7
[M+NH4]+ 279.89670 142.1
[M+K]+ 300.82604 141.7
[M-H]- 260.85560 140.7
[M+Na-2H]- 282.83755 142.1
[M]+ 261.86233 138.3
[M]- 261.86343 138.3
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