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]+ 241.02226 145.0
[M+Na]+ 263.00420 157.3
[M-H]- 239.00770 151.8
[M+NH4]+ 258.04880 166.9
[M+K]+ 278.97814 146.2
[M+H-H2O]+ 223.01224 145.9
[M+HCOO]- 285.01318 165.3
[M+CH3COO]- 299.02883 191.1
[M+Na-2H]- 260.98965 152.4
[M]+ 240.01443 165.2
[M]- 240.01553 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.