CID 83487084

4-bromo-2-hydroxy-3,6-dimethylbenzaldehyde

Structural Information

Molecular Formula
C9H9BrO2
SMILES
CC1=CC(=C(C(=C1C=O)O)C)Br
InChI
InChI=1S/C9H9BrO2/c1-5-3-8(10)6(2)9(12)7(5)4-11/h3-4,12H,1-2H3
InChIKey
BZDXEZBUMGAKCJ-UHFFFAOYSA-N
Compound name
4-bromo-2-hydroxy-3,6-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.97859 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.985866 137.2
[M+Na]+ 250.967808 151.0
[M-H]- 226.971314 143.3
[M+NH4]+ 246.012413 159.2
[M+K]+ 266.941748 139.6
[M+H-H2O]+ 210.975850 138.1
[M+HCOO]- 272.976791 158.3
[M+CH3COO]- 286.992441 186.8
[M+Na-2H]- 248.953256 143.3
[M]+ 227.97804142 157.4
[M]- 227.97913858 157.4
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

No patent data available for this compound.