CID 64160083

1158735-27-3

Structural Information

Molecular Formula
C10H7Br2NO
SMILES
C1=CC(=CC(=C1)Br)C2=NOC(=C2)CBr
InChI
InChI=1S/C10H7Br2NO/c11-6-9-5-10(13-14-9)7-2-1-3-8(12)4-7/h1-5H,6H2
InChIKey
OCTOWVMASYVELT-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-(3-bromophenyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.88943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.89671 146.9
[M+Na]+ 337.87865 158.8
[M-H]- 313.88215 156.0
[M+NH4]+ 332.92325 165.2
[M+K]+ 353.85259 145.1
[M+H-H2O]+ 297.88669 155.2
[M+HCOO]- 359.88763 163.7
[M+CH3COO]- 373.90328 161.7
[M+Na-2H]- 335.86410 154.3
[M]+ 314.88888 182.5
[M]- 314.88998 182.5
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.