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

134
Patents

211.98367 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.990946 134.0
[M+Na]+ 234.972888 147.5
[M-H]- 210.976394 141.2
[M+NH4]+ 230.017493 157.1
[M+K]+ 250.946828 136.6
[M+H-H2O]+ 194.980930 134.8
[M+HCOO]- 256.981871 156.4
[M+CH3COO]- 270.997521 186.2
[M+Na-2H]- 232.958336 141.3
[M]+ 211.98312142 154.2
[M]- 211.98421858 154.2
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

patents stripe