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

36
Patents

241.99425 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.001526 132.3
[M+Na]+ 264.983468 142.6
[M-H]- 240.986974 142.3
[M+NH4]+ 260.028073 148.2
[M+K]+ 280.957408 137.2
[M+H-H2O]+ 224.991510 129.0
[M+HCOO]- 286.992451 152.4
[M+CH3COO]- 301.008101 190.5
[M+Na-2H]- 262.968916 142.7
[M]+ 241.99370142 160.2
[M]- 241.99479858 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