CID 52378

Malonic acid, (3-bromo-4-hydroxybenzylidene)-

Structural Information

Molecular Formula
C10H7BrO5
SMILES
C1=CC(=C(C=C1C=C(C(=O)O)C(=O)O)Br)O
InChI
InChI=1S/C10H7BrO5/c11-7-4-5(1-2-8(7)12)3-6(9(13)14)10(15)16/h1-4,12H,(H,13,14)(H,15,16)
InChIKey
SHTXPOFRANTSEC-UHFFFAOYSA-N
Compound name
2-[(3-bromo-4-hydroxyphenyl)methylidene]propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.9477 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.95498 150.8
[M+Na]+ 308.93692 160.6
[M-H]- 284.94042 153.3
[M+NH4]+ 303.98152 167.8
[M+K]+ 324.91086 149.1
[M+H-H2O]+ 268.94496 150.6
[M+HCOO]- 330.94590 166.6
[M+CH3COO]- 344.96155 189.2
[M+Na-2H]- 306.92237 152.9
[M]+ 285.94715 167.6
[M]- 285.94825 167.6
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

No patent data available for this compound.