CID 71742749

1241897-95-9

Structural Information

Molecular Formula
C4HBrN2O
SMILES
C1=C(ON=C1Br)C#N
InChI
InChI=1S/C4HBrN2O/c5-4-1-3(2-6)8-7-4/h1H
InChIKey
BXIUIHYRVDAYGW-UHFFFAOYSA-N
Compound name
3-bromo-1,2-oxazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.92723 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.93451 118.7
[M+Na]+ 194.91645 133.9
[M-H]- 170.91995 122.8
[M+NH4]+ 189.96105 139.5
[M+K]+ 210.89039 125.0
[M+H-H2O]+ 154.92449 111.7
[M+HCOO]- 216.92543 139.8
[M+CH3COO]- 230.94108 187.1
[M+Na-2H]- 192.90190 128.1
[M]+ 171.92668 132.0
[M]- 171.92778 132.0
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.