CID 2452208

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

Structural Information

Molecular Formula
C10H13BrO
SMILES
CC1=C(C(=CC=C1)C)OCCBr
InChI
InChI=1S/C10H13BrO/c1-8-4-3-5-9(2)10(8)12-7-6-11/h3-5H,6-7H2,1-2H3
InChIKey
MSKAVXYLXIUCJP-UHFFFAOYSA-N
Compound name
2-(2-bromoethoxy)-1,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

228.01498 Da
Monoisotopic Mass

3.8
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

No literature data available for this compound.

Patent stripe

patents stripe