CID 11264968

4-bromo-2,3,5,6-tetramethylbenzaldehyde

Structural Information

Molecular Formula
C11H13BrO
SMILES
CC1=C(C(=C(C(=C1C=O)C)C)Br)C
InChI
InChI=1S/C11H13BrO/c1-6-8(3)11(12)9(4)7(2)10(6)5-13/h5H,1-4H3
InChIKey
XLAVJCMGFBXRHR-UHFFFAOYSA-N
Compound name
4-bromo-2,3,5,6-tetramethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01498 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.022256 141.0
[M+Na]+ 263.004198 155.4
[M-H]- 239.007704 148.6
[M+NH4]+ 258.048803 163.7
[M+K]+ 278.978138 144.1
[M+H-H2O]+ 223.012240 141.8
[M+HCOO]- 285.013181 162.8
[M+CH3COO]- 299.028831 194.1
[M+Na-2H]- 260.989646 146.1
[M]+ 240.01443142 162.6
[M]- 240.01552858 162.6
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

No patent data available for this compound.