CID 11521541

4-bromo-5-methyl-2-phenyl-1,3-oxazole

Structural Information

Molecular Formula
C10H8BrNO
SMILES
CC1=C(N=C(O1)C2=CC=CC=C2)Br
InChI
InChI=1S/C10H8BrNO/c1-7-9(11)12-10(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
KVWJQXNRVGWCKZ-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-2-phenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

236.97893 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98621 142.8
[M+Na]+ 259.96815 156.2
[M-H]- 235.97165 152.2
[M+NH4]+ 255.01275 163.8
[M+K]+ 275.94209 146.5
[M+H-H2O]+ 219.97619 142.8
[M+HCOO]- 281.97713 165.0
[M+CH3COO]- 295.99278 159.2
[M+Na-2H]- 257.95360 150.7
[M]+ 236.97838 163.3
[M]- 236.97948 163.3
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