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]+ 228.98587 136.9
[M+Na]+ 250.96781 150.3
[M-H]- 226.97131 144.1
[M+NH4]+ 246.01241 159.4
[M+K]+ 266.94175 139.9
[M+H-H2O]+ 210.97585 137.5
[M+HCOO]- 272.97679 159.5
[M+CH3COO]- 286.99244 188.1
[M+Na-2H]- 248.95326 144.2
[M]+ 227.97804 158.6
[M]- 227.97914 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.