CID 14049806

4-bromo-3-chlorobenzaldehyde

Structural Information

Molecular Formula
C7H4BrClO
SMILES
C1=CC(=C(C=C1C=O)Cl)Br
InChI
InChI=1S/C7H4BrClO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKey
LDYVDYZLCRUOTM-UHFFFAOYSA-N
Compound name
4-bromo-3-chlorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

382
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 132.7
[M+Na]+ 240.90262 138.5
[M+NH4]+ 235.94722 138.7
[M+K]+ 256.87656 137.1
[M-H]- 216.90612 133.9
[M+Na-2H]- 238.88807 137.7
[M]+ 217.91285 133.0
[M]- 217.91395 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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