CID 129958814

1261236-53-6

Structural Information

Molecular Formula
C10H7BrClNO
SMILES
CC1=C(C(=NO1)C2=CC=C(C=C2)Cl)Br
InChI
InChI=1S/C10H7BrClNO/c1-6-9(11)10(13-14-6)7-2-4-8(12)5-3-7/h2-5H,1H3
InChIKey
CJAUQNGHHDVGAQ-UHFFFAOYSA-N
Compound name
4-bromo-3-(4-chlorophenyl)-5-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.93994 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.947216 148.8
[M+Na]+ 293.929158 163.9
[M-H]- 269.932664 158.2
[M+NH4]+ 288.973763 169.5
[M+K]+ 309.903098 152.2
[M+H-H2O]+ 253.937200 149.2
[M+HCOO]- 315.938141 166.3
[M+CH3COO]- 329.953791 165.0
[M+Na-2H]- 291.914606 155.5
[M]+ 270.93939142 171.3
[M]- 270.94048858 171.3
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.