CID 68563492

1240608-82-5

Structural Information

Molecular Formula
C4HBrN2O
SMILES
C1=C(N=C(O1)Br)C#N
InChI
InChI=1S/C4HBrN2O/c5-4-7-3(1-6)2-8-4/h2H
InChIKey
QEIQYGCSLLAGBE-UHFFFAOYSA-N
Compound name
2-bromo-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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

patents stripe