CID 130113876

3-(2-bromophenyl)oxetane

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1C(CO1)C2=CC=CC=C2Br
InChI
InChI=1S/C9H9BrO/c10-9-4-2-1-3-8(9)7-5-11-6-7/h1-4,7H,5-6H2
InChIKey
YGAGELLVGDOZDY-UHFFFAOYSA-N
Compound name
3-(2-bromophenyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.98367 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.990946 125.0
[M+Na]+ 234.972888 135.1
[M-H]- 210.976394 134.8
[M+NH4]+ 230.017493 140.3
[M+K]+ 250.946828 129.3
[M+H-H2O]+ 194.980930 121.0
[M+HCOO]- 256.981871 145.2
[M+CH3COO]- 270.997521 186.3
[M+Na-2H]- 232.958336 135.0
[M]+ 211.98312142 150.9
[M]- 211.98421858 150.9
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