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]+ 228.98587 137.2
[M+Na]+ 250.96781 151.0
[M-H]- 226.97131 143.3
[M+NH4]+ 246.01241 159.2
[M+K]+ 266.94175 139.6
[M+H-H2O]+ 210.97585 138.1
[M+HCOO]- 272.97679 158.3
[M+CH3COO]- 286.99244 186.8
[M+Na-2H]- 248.95326 143.3
[M]+ 227.97804 157.4
[M]- 227.97914 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.