CID 123821754

3-bromo-5-formyl-4-hydroxybenzoic acid

Structural Information

Molecular Formula
C8H5BrO4
SMILES
C1=C(C=C(C(=C1C=O)O)Br)C(=O)O
InChI
InChI=1S/C8H5BrO4/c9-6-2-4(8(12)13)1-5(3-10)7(6)11/h1-3,11H,(H,12,13)
InChIKey
PNSZBDCRUVMPKG-UHFFFAOYSA-N
Compound name
3-bromo-5-formyl-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

243.93712 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.94440 140.4
[M+Na]+ 266.92634 143.0
[M+NH4]+ 261.97094 143.5
[M+K]+ 282.90028 144.9
[M-H]- 242.92984 138.9
[M+Na-2H]- 264.91179 142.1
[M]+ 243.93657 138.9
[M]- 243.93767 138.9
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