CID 84692351

2-bromo-3-methoxy-6-methylbenzaldehyde

Structural Information

Molecular Formula
C9H9BrO2
SMILES
CC1=C(C(=C(C=C1)OC)Br)C=O
InChI
InChI=1S/C9H9BrO2/c1-6-3-4-8(12-2)9(10)7(6)5-11/h3-5H,1-2H3
InChIKey
ZKJZDXDLMOOGDO-UHFFFAOYSA-N
Compound name
2-bromo-3-methoxy-6-methylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.97859 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.985866 136.9
[M+Na]+ 250.967808 150.3
[M-H]- 226.971314 144.1
[M+NH4]+ 246.012413 159.4
[M+K]+ 266.941748 139.9
[M+H-H2O]+ 210.975850 137.5
[M+HCOO]- 272.976791 159.5
[M+CH3COO]- 286.992441 188.1
[M+Na-2H]- 248.953256 144.2
[M]+ 227.97804142 158.6
[M]- 227.97913858 158.6
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.