CID 46741262

2-bromo-1-(dimethyl-1,3-oxazol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C7H8BrNO2
SMILES
CC1=C(OC(=N1)C)C(=O)CBr
InChI
InChI=1S/C7H8BrNO2/c1-4-7(6(10)3-8)11-5(2)9-4/h3H2,1-2H3
InChIKey
QZVFTSMGCRLQDQ-UHFFFAOYSA-N
Compound name
2-bromo-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

216.97385 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.981126 137.5
[M+Na]+ 239.963068 150.8
[M-H]- 215.966574 143.8
[M+NH4]+ 235.007673 159.3
[M+K]+ 255.937008 142.0
[M+H-H2O]+ 199.971110 137.8
[M+HCOO]- 261.972051 158.5
[M+CH3COO]- 275.987701 184.7
[M+Na-2H]- 237.948516 143.8
[M]+ 216.97330142 159.1
[M]- 216.97439858 159.1
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