CID 23463927

2-bromo-3-chlorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

217.9134 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.920676 130.8
[M+Na]+ 240.902618 145.4
[M-H]- 216.906124 137.8
[M+NH4]+ 235.947223 154.3
[M+K]+ 256.876558 132.8
[M+H-H2O]+ 200.910660 132.7
[M+HCOO]- 262.911601 149.6
[M+CH3COO]- 276.927251 183.1
[M+Na-2H]- 238.888066 139.6
[M]+ 217.91285142 151.9
[M]- 217.91394858 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