CID 11810263

2-bromo-3-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7BrO2
SMILES
COC1=CC=CC(=C1Br)C=O
InChI
InChI=1S/C8H7BrO2/c1-11-7-4-2-3-6(5-10)8(7)9/h2-5H,1H3
InChIKey
KELPUINOQGYPKR-UHFFFAOYSA-N
Compound name
2-bromo-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

213.96294 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

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