CID 57842702

2-(4-bromo-2,6-dimethylphenyl)ethanol

Structural Information

Molecular Formula
C10H13BrO
SMILES
CC1=CC(=CC(=C1CCO)C)Br
InChI
InChI=1S/C10H13BrO/c1-7-5-9(11)6-8(2)10(7)3-4-12/h5-6,12H,3-4H2,1-2H3
InChIKey
VGUKMBPUMPQWAR-UHFFFAOYSA-N
Compound name
2-(4-bromo-2,6-dimethylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

228.01498 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02226 141.8
[M+Na]+ 251.00420 154.1
[M-H]- 227.00770 147.3
[M+NH4]+ 246.04880 163.6
[M+K]+ 266.97814 142.6
[M+H-H2O]+ 211.01224 142.4
[M+HCOO]- 273.01318 162.2
[M+CH3COO]- 287.02883 187.4
[M+Na-2H]- 248.98965 147.9
[M]+ 228.01443 161.2
[M]- 228.01553 161.2
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

patents stripe