CID 216894

37852-59-8

Structural Information

Molecular Formula
C11H9BrN2O2
SMILES
C1=CC=C(C=C1)C2=NOC(=C2)NC(=O)CBr
InChI
InChI=1S/C11H9BrN2O2/c12-7-10(15)13-11-6-9(14-16-11)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,15)
InChIKey
ZWCYNKMAYQTQBA-UHFFFAOYSA-N
Compound name
2-bromo-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.98474 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.99202 154.1
[M+Na]+ 302.97396 164.9
[M-H]- 278.97746 162.8
[M+NH4]+ 298.01856 172.4
[M+K]+ 318.94790 155.0
[M+H-H2O]+ 262.98200 152.5
[M+HCOO]- 324.98294 176.1
[M+CH3COO]- 338.99859 194.6
[M+Na-2H]- 300.95941 161.2
[M]+ 279.98419 173.7
[M]- 279.98529 173.7
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.