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 140.8
[M+Na]+ 251.00420 154.0
[M-H]- 227.00770 146.8
[M+NH4]+ 246.04880 163.0
[M+K]+ 266.97814 142.5
[M+H-H2O]+ 211.01224 141.7
[M+HCOO]- 273.01318 161.2
[M+CH3COO]- 287.02883 188.5
[M+Na-2H]- 248.98965 146.3
[M]+ 228.01443 160.6
[M]- 228.01553 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

No patent data available for this compound.