CID 387179

2-bromo-5-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H5BrO2
SMILES
C1=CC(=C(C=C1O)C=O)Br
InChI
InChI=1S/C7H5BrO2/c8-7-2-1-6(10)3-5(7)4-9/h1-4,10H
InChIKey
SCRQAWQJSSKCFN-UHFFFAOYSA-N
Compound name
2-bromo-5-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

945
Patents

199.9473 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.95458 131.1
[M+Na]+ 222.93652 135.2
[M+NH4]+ 217.98112 136.1
[M+K]+ 238.91046 135.3
[M-H]- 198.94002 131.4
[M+Na-2H]- 220.92197 135.0
[M]+ 199.94675 130.5
[M]- 199.94785 130.5
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