CID 554845

2-bromo-6-methoxybenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
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 134.5
[M+Na]+ 236.95216 138.9
[M+NH4]+ 231.99676 139.7
[M+K]+ 252.92610 138.6
[M-H]- 212.95566 135.3
[M+Na-2H]- 234.93761 138.8
[M]+ 213.96239 134.2
[M]- 213.96349 134.2
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