CID 818049

6-bromo-2,3-dihydroxybenzaldehyde

Structural Information

Molecular Formula
C7H5BrO3
SMILES
C1=CC(=C(C(=C1O)O)C=O)Br
InChI
InChI=1S/C7H5BrO3/c8-5-1-2-6(10)7(11)4(5)3-9/h1-3,10-11H
InChIKey
PCSTWUHSLBALGP-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

215.94221 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe