CID 117550942

3-(4-bromophenyl)-3-methoxyoxetane

Structural Information

Molecular Formula
C10H11BrO2
SMILES
COC1(COC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H11BrO2/c1-12-10(6-13-7-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKey
WYSLNMIJAZJSNT-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-3-methoxyoxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

241.99425 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 132.3
[M+Na]+ 264.98347 142.6
[M-H]- 240.98697 142.3
[M+NH4]+ 260.02807 148.2
[M+K]+ 280.95741 137.2
[M+H-H2O]+ 224.99151 129.0
[M+HCOO]- 286.99245 152.4
[M+CH3COO]- 301.00810 190.5
[M+Na-2H]- 262.96892 142.7
[M]+ 241.99370 160.2
[M]- 241.99480 160.2
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