CID 90457228

2-bromo-6-chloro-4-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H4BrClO2
SMILES
C1=C(C=C(C(=C1Cl)C=O)Br)O
InChI
InChI=1S/C7H4BrClO2/c8-6-1-4(11)2-7(9)5(6)3-10/h1-3,11H
InChIKey
UPKICZQMPQYKOU-UHFFFAOYSA-N
Compound name
2-bromo-6-chloro-4-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

233.90833 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.915606 133.7
[M+Na]+ 256.897548 148.4
[M-H]- 232.901054 139.7
[M+NH4]+ 251.942153 156.1
[M+K]+ 272.871488 135.5
[M+H-H2O]+ 216.905590 135.6
[M+HCOO]- 278.906531 151.2
[M+CH3COO]- 292.922181 183.6
[M+Na-2H]- 254.882996 141.2
[M]+ 233.90778142 154.6
[M]- 233.90887858 154.6
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