CID 475829

2,2-dibromo-1-(3-phenyl-4,5-dihydro-isoxazol-5-yl)-ethanone

Structural Information

Molecular Formula
C11H9Br2NO2
SMILES
C1C(ON=C1C2=CC=CC=C2)C(=O)C(Br)Br
InChI
InChI=1S/C11H9Br2NO2/c12-11(13)10(15)9-6-8(14-16-9)7-4-2-1-3-5-7/h1-5,9,11H,6H2
InChIKey
UMYGTUXWHZEMMO-UHFFFAOYSA-N
Compound name
2,2-dibromo-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.9 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.90728 156.7
[M+Na]+ 367.88922 166.3
[M-H]- 343.89272 165.2
[M+NH4]+ 362.93382 173.4
[M+K]+ 383.86316 153.0
[M+H-H2O]+ 327.89726 164.5
[M+HCOO]- 389.89820 170.8
[M+CH3COO]- 403.91385 207.9
[M+Na-2H]- 365.87467 161.3
[M]+ 344.89945 190.7
[M]- 344.90055 190.7
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.