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

444
Patents

213.96294 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.97022 133.2
[M+Na]+ 236.95216 146.2
[M-H]- 212.95566 140.1
[M+NH4]+ 231.99676 155.9
[M+K]+ 252.92610 135.9
[M+H-H2O]+ 196.96020 133.8
[M+HCOO]- 258.96114 156.2
[M+CH3COO]- 272.97679 184.2
[M+Na-2H]- 234.93761 141.7
[M]+ 213.96239 154.1
[M]- 213.96349 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