CID 136145738

3-(3-bromo-4-methoxyphenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one

Structural Information

Molecular Formula
C9H7BrN2O3
SMILES
COC1=C(C=C(C=C1)C2=NOC(=O)N2)Br
InChI
InChI=1S/C9H7BrN2O3/c1-14-7-3-2-5(4-6(7)10)8-11-9(13)15-12-8/h2-4H,1H3,(H,11,12,13)
InChIKey
PPOOXLPDIVNENI-UHFFFAOYSA-N
Compound name
3-(3-bromo-4-methoxyphenyl)-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.964 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.97128 146.1
[M+Na]+ 292.95322 160.0
[M-H]- 268.95672 153.2
[M+NH4]+ 287.99782 163.8
[M+K]+ 308.92716 149.9
[M+H-H2O]+ 252.96126 145.3
[M+HCOO]- 314.96220 166.4
[M+CH3COO]- 328.97785 188.7
[M+Na-2H]- 290.93867 153.3
[M]+ 269.96345 167.3
[M]- 269.96455 167.3
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.