CID 2564753

1-(2-bromoethoxy)-3,5-dimethylbenzene

Structural Information

Molecular Formula
C10H13BrO
SMILES
CC1=CC(=CC(=C1)OCCBr)C
InChI
InChI=1S/C10H13BrO/c1-8-5-9(2)7-10(6-8)12-4-3-11/h5-7H,3-4H2,1-2H3
InChIKey
DMZQWLHBAZGMKK-UHFFFAOYSA-N
Compound name
1-(2-bromoethoxy)-3,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

228.01498 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.022256 141.5
[M+Na]+ 251.004198 153.4
[M-H]- 227.007704 148.1
[M+NH4]+ 246.048803 163.8
[M+K]+ 266.978138 142.8
[M+H-H2O]+ 211.012240 141.9
[M+HCOO]- 273.013181 163.4
[M+CH3COO]- 287.028831 188.8
[M+Na-2H]- 248.989646 148.8
[M]+ 228.01443142 162.4
[M]- 228.01552858 162.4
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