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

0
Patents

228.01498 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02226 141.4
[M+Na]+ 251.00420 146.0
[M+NH4]+ 246.04880 146.7
[M+K]+ 266.97814 145.4
[M-H]- 227.00770 142.3
[M+Na-2H]- 248.98965 144.7
[M]+ 228.01443 141.2
[M]- 228.01553 141.2
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.