CID 16227115

5301-00-8

Structural Information

Molecular Formula
C10H6BrCl2NO
SMILES
C1=CC(=C(C=C1Cl)Cl)C2=NOC(=C2)CBr
InChI
InChI=1S/C10H6BrCl2NO/c11-5-7-4-10(14-15-7)8-2-1-6(12)3-9(8)13/h1-4H,5H2
InChIKey
BYVHSJZJPZEATP-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-(2,4-dichlorophenyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.90097 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.90825 154.3
[M+Na]+ 327.89019 169.8
[M-H]- 303.89369 162.8
[M+NH4]+ 322.93479 174.1
[M+K]+ 343.86413 156.8
[M+H-H2O]+ 287.89823 154.9
[M+HCOO]- 349.89917 166.8
[M+CH3COO]- 363.91482 169.7
[M+Na-2H]- 325.87564 160.2
[M]+ 304.90042 177.4
[M]- 304.90152 177.4
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.