CID 12407141

2-[(3-bromophenyl)methyl]oxirane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.98367 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.99095 137.2
[M+Na]+ 234.97289 150.7
[M-H]- 210.97639 148.1
[M+NH4]+ 230.01749 154.1
[M+K]+ 250.94683 141.3
[M+H-H2O]+ 194.98093 136.7
[M+HCOO]- 256.98187 159.1
[M+CH3COO]- 270.99752 186.6
[M+Na-2H]- 232.95834 146.9
[M]+ 211.98312 158.3
[M]- 211.98422 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

No patent data available for this compound.