CID 25271554

(2-amino-1,3-oxazol-5-yl)-(3-bromophenyl)methanone

Structural Information

Molecular Formula
C10H7BrN2O2
SMILES
C1=CC(=CC(=C1)Br)C(=O)C2=CN=C(O2)N
InChI
InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)9(14)8-5-13-10(12)15-8/h1-5H,(H2,12,13)
InChIKey
YDCMMVTWXORJGO-UHFFFAOYSA-N
Compound name
(2-amino-1,3-oxazol-5-yl)-(3-bromophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

265.9691 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.97638 150.0
[M+Na]+ 288.95832 162.0
[M-H]- 264.96182 158.8
[M+NH4]+ 284.00292 168.8
[M+K]+ 304.93226 151.9
[M+H-H2O]+ 248.96636 148.8
[M+HCOO]- 310.96730 171.7
[M+CH3COO]- 324.98295 192.9
[M+Na-2H]- 286.94377 156.0
[M]+ 265.96855 168.8
[M]- 265.96965 168.8
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