CID 10608698

3-bromo-5-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7BrO2
SMILES
COC1=CC(=CC(=C1)C=O)Br
InChI
InChI=1S/C8H7BrO2/c1-11-8-3-6(5-10)2-7(9)4-8/h2-5H,1H3
InChIKey
GCXBEEKTPWZHJN-UHFFFAOYSA-N
Compound name
3-bromo-5-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

416
Patents

213.96294 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.970216 133.2
[M+Na]+ 236.952158 146.2
[M-H]- 212.955664 140.1
[M+NH4]+ 231.996763 155.9
[M+K]+ 252.926098 135.9
[M+H-H2O]+ 196.960200 133.8
[M+HCOO]- 258.961141 156.2
[M+CH3COO]- 272.976791 184.2
[M+Na-2H]- 234.937606 141.7
[M]+ 213.96239142 154.1
[M]- 213.96348858 154.1
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

patents stripe