CID 102766

2-[(4-bromophenoxy)methyl]oxirane

Structural Information

Molecular Formula
C9H9BrO2
SMILES
C1C(O1)COC2=CC=C(C=C2)Br
InChI
InChI=1S/C9H9BrO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2
InChIKey
YKUYKENINQNULY-UHFFFAOYSA-N
Compound name
2-[(4-bromophenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

397
Patents

227.97859 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98587 140.7
[M+Na]+ 250.96781 154.0
[M-H]- 226.97131 151.5
[M+NH4]+ 246.01241 156.9
[M+K]+ 266.94175 144.9
[M+H-H2O]+ 210.97585 140.0
[M+HCOO]- 272.97679 162.7
[M+CH3COO]- 286.99244 188.4
[M+Na-2H]- 248.95326 150.2
[M]+ 227.97804 163.1
[M]- 227.97914 163.1
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