CID 10608925

5-bromo-2-chlorobenzaldehyde

Structural Information

Molecular Formula
C7H4BrClO
SMILES
C1=CC(=C(C=C1Br)C=O)Cl
InChI
InChI=1S/C7H4BrClO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
InChIKey
DPKKRQAEYWOISP-UHFFFAOYSA-N
Compound name
5-bromo-2-chlorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

610
Patents

217.9134 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.92068 130.8
[M+Na]+ 240.90262 145.4
[M-H]- 216.90612 137.8
[M+NH4]+ 235.94722 154.3
[M+K]+ 256.87656 132.8
[M+H-H2O]+ 200.91066 132.7
[M+HCOO]- 262.91160 149.6
[M+CH3COO]- 276.92725 183.1
[M+Na-2H]- 238.88807 139.6
[M]+ 217.91285 151.9
[M]- 217.91395 151.9
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