CID 10464616

3-(bromomethyl)isoxazole

Structural Information

Molecular Formula
C4H4BrNO
SMILES
C1=CON=C1CBr
InChI
InChI=1S/C4H4BrNO/c5-3-4-1-2-7-6-4/h1-2H,3H2
InChIKey
OHUCPYWPUWLNQI-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

160.94763 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.95491 127.0
[M+Na]+ 183.93685 130.1
[M+NH4]+ 178.98145 132.3
[M+K]+ 199.91079 132.1
[M-H]- 159.94035 127.9
[M+Na-2H]- 181.92230 130.2
[M]+ 160.94708 126.5
[M]- 160.94818 126.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe