CID 15362647

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

Structural Information

Molecular Formula
C10H13BrO
SMILES
CC1=CC(=C(C(=C1CBr)C)O)C
InChI
InChI=1S/C10H13BrO/c1-6-4-7(2)10(12)8(3)9(6)5-11/h4,12H,5H2,1-3H3
InChIKey
DPOJFSSUIJHUDL-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2,4,6-trimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.01498 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.022256 140.8
[M+Na]+ 251.004198 154.0
[M-H]- 227.007704 146.8
[M+NH4]+ 246.048803 163.0
[M+K]+ 266.978138 142.5
[M+H-H2O]+ 211.012240 141.7
[M+HCOO]- 273.013181 161.2
[M+CH3COO]- 287.028831 188.5
[M+Na-2H]- 248.989646 146.3
[M]+ 228.01443142 160.6
[M]- 228.01552858 160.6
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

patents stripe