CID 15391279

2-bromo-5-chlorobenzaldehyde

Structural Information

Molecular Formula
C7H4BrClO
SMILES
C1=CC(=C(C=C1Cl)C=O)Br
InChI
InChI=1S/C7H4BrClO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H
InChIKey
IIISHLMCTDMUHH-UHFFFAOYSA-N
Compound name
2-bromo-5-chlorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

661
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

literature stripe

Patent stripe

patents stripe