CID 11736336

2-bromo-6-methoxy-4-methylbenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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

literature stripe

Patent stripe

patents stripe