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]+ 241.02226 141.0
[M+Na]+ 263.00420 155.4
[M-H]- 239.00770 148.6
[M+NH4]+ 258.04880 163.7
[M+K]+ 278.97814 144.1
[M+H-H2O]+ 223.01224 141.8
[M+HCOO]- 285.01318 162.8
[M+CH3COO]- 299.02883 194.1
[M+Na-2H]- 260.98965 146.1
[M]+ 240.01443 162.6
[M]- 240.01553 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.