CID 85742370

3,5-bis(bromomethyl)-2,4,6-trimethylphenol

Structural Information

Molecular Formula
C11H14Br2O
SMILES
CC1=C(C(=C(C(=C1CBr)C)O)C)CBr
InChI
InChI=1S/C11H14Br2O/c1-6-9(4-12)7(2)11(14)8(3)10(6)5-13/h14H,4-5H2,1-3H3
InChIKey
SVAMWRLVURFKRX-UHFFFAOYSA-N
Compound name
3,5-bis(bromomethyl)-2,4,6-trimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

319.94113 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.948406 147.1
[M+Na]+ 342.930348 159.1
[M-H]- 318.933854 153.4
[M+NH4]+ 337.974953 165.9
[M+K]+ 358.904288 142.8
[M+H-H2O]+ 302.938390 155.0
[M+HCOO]- 364.939331 161.9
[M+CH3COO]- 378.954981 208.5
[M+Na-2H]- 340.915796 151.5
[M]+ 319.94058142 182.3
[M]- 319.94167858 182.3
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