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]+ 217.98113 137.5
[M+Na]+ 239.96307 150.8
[M-H]- 215.96657 143.8
[M+NH4]+ 235.00767 159.3
[M+K]+ 255.93701 142.0
[M+H-H2O]+ 199.97111 137.8
[M+HCOO]- 261.97205 158.5
[M+CH3COO]- 275.98770 184.7
[M+Na-2H]- 237.94852 143.8
[M]+ 216.97330 159.1
[M]- 216.97440 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