CID 13540069

2,5-dibromobenzaldehyde

Structural Information

Molecular Formula
C7H4Br2O
SMILES
C1=CC(=C(C=C1Br)C=O)Br
InChI
InChI=1S/C7H4Br2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
InChIKey
BQBXKWGMPUCSQV-UHFFFAOYSA-N
Compound name
2,5-dibromobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

203
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 129.9
[M+Na]+ 284.85210 142.0
[M-H]- 260.85560 137.2
[M+NH4]+ 279.89670 150.5
[M+K]+ 300.82604 126.9
[M+H-H2O]+ 244.86014 138.6
[M+HCOO]- 306.86108 147.4
[M+CH3COO]- 320.87673 198.0
[M+Na-2H]- 282.83755 138.4
[M]+ 261.86233 164.3
[M]- 261.86343 164.3
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