CID 18615585

5-bromo-2,3-dihydroxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

215.94221 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.94949 132.8
[M+Na]+ 238.93143 145.8
[M-H]- 214.93493 137.4
[M+NH4]+ 233.97603 154.1
[M+K]+ 254.90537 134.5
[M+H-H2O]+ 198.93947 133.6
[M+HCOO]- 260.94041 153.2
[M+CH3COO]- 274.95606 179.6
[M+Na-2H]- 236.91688 139.9
[M]+ 215.94166 151.4
[M]- 215.94276 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