CID 13109575

2-bromo-3,4-dihydroxybenzaldehyde

Structural Information

Molecular Formula
C7H5BrO3
SMILES
C1=CC(=C(C(=C1C=O)Br)O)O
InChI
InChI=1S/C7H5BrO3/c8-6-4(3-9)1-2-5(10)7(6)11/h1-3,10-11H
InChIKey
QVOCITAVBWSYRN-UHFFFAOYSA-N
Compound name
2-bromo-3,4-dihydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

215.94221 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.949486 132.8
[M+Na]+ 238.931428 145.8
[M-H]- 214.934934 137.4
[M+NH4]+ 233.976033 154.1
[M+K]+ 254.905368 134.5
[M+H-H2O]+ 198.939470 133.6
[M+HCOO]- 260.940411 153.2
[M+CH3COO]- 274.956061 179.6
[M+Na-2H]- 236.916876 139.9
[M]+ 215.94166142 151.4
[M]- 215.94275858 151.4
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