CID 11680098

2-[(4-bromophenyl)methyl]oxirane

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1C(O1)CC2=CC=C(C=C2)Br
InChI
InChI=1S/C9H9BrO/c10-8-3-1-7(2-4-8)5-9-6-11-9/h1-4,9H,5-6H2
InChIKey
OWSUCIGLIXNPJE-UHFFFAOYSA-N
Compound name
2-[(4-bromophenyl)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

211.98367 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.990946 137.2
[M+Na]+ 234.972888 150.7
[M-H]- 210.976394 148.1
[M+NH4]+ 230.017493 154.1
[M+K]+ 250.946828 141.3
[M+H-H2O]+ 194.980930 136.7
[M+HCOO]- 256.981871 159.1
[M+CH3COO]- 270.997521 186.6
[M+Na-2H]- 232.958336 146.9
[M]+ 211.98312142 158.3
[M]- 211.98421858 158.3
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