CID 11020222

4-bromo-2,6-dimethylbenzaldehyde

Structural Information

Molecular Formula
C9H9BrO
SMILES
CC1=CC(=CC(=C1C=O)C)Br
InChI
InChI=1S/C9H9BrO/c1-6-3-8(10)4-7(2)9(6)5-11/h3-5H,1-2H3
InChIKey
JFRPWJDOGGLZFS-UHFFFAOYSA-N
Compound name
4-bromo-2,6-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

211.98367 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 135.0
[M+Na]+ 234.97289 140.0
[M+NH4]+ 230.01749 140.6
[M+K]+ 250.94683 139.2
[M-H]- 210.97639 136.3
[M+Na-2H]- 232.95834 139.3
[M]+ 211.98312 135.0
[M]- 211.98422 135.0
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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