CID 3676742

2-(2-bromoethoxy)-1,4-dimethylbenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.01498 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02226 141.5
[M+Na]+ 251.00420 153.4
[M-H]- 227.00770 148.1
[M+NH4]+ 246.04880 163.8
[M+K]+ 266.97814 142.8
[M+H-H2O]+ 211.01224 141.9
[M+HCOO]- 273.01318 163.4
[M+CH3COO]- 287.02883 188.8
[M+Na-2H]- 248.98965 148.8
[M]+ 228.01443 162.4
[M]- 228.01553 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