CID 165778648

2-(3-bromo-2-methylphenyl)-2-methylpropanal

Structural Information

Molecular Formula
C11H13BrO
SMILES
CC1=C(C=CC=C1Br)C(C)(C)C=O
InChI
InChI=1S/C11H13BrO/c1-8-9(11(2,3)7-13)5-4-6-10(8)12/h4-7H,1-3H3
InChIKey
ILUXFNZDWFGTBF-UHFFFAOYSA-N
Compound name
2-(3-bromo-2-methylphenyl)-2-methylpropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01498 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.022256 145.0
[M+Na]+ 263.004198 157.3
[M-H]- 239.007704 151.8
[M+NH4]+ 258.048803 166.9
[M+K]+ 278.978138 146.2
[M+H-H2O]+ 223.012240 145.9
[M+HCOO]- 285.013181 165.3
[M+CH3COO]- 299.028831 191.1
[M+Na-2H]- 260.989646 152.4
[M]+ 240.01443142 165.2
[M]- 240.01552858 165.2
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.