CID 18957373

2-(bromomethyl)-1,3-oxazole

Structural Information

Molecular Formula
C4H4BrNO
SMILES
C1=COC(=N1)CBr
InChI
InChI=1S/C4H4BrNO/c5-3-4-6-1-2-7-4/h1-2H,3H2
InChIKey
GXUWICFDIIONCH-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

160.94763 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.95491 122.6
[M+Na]+ 183.93685 135.5
[M-H]- 159.94035 128.6
[M+NH4]+ 178.98145 146.2
[M+K]+ 199.91079 127.5
[M+H-H2O]+ 143.94489 123.2
[M+HCOO]- 205.94583 145.2
[M+CH3COO]- 219.96148 172.3
[M+Na-2H]- 181.92230 132.9
[M]+ 160.94708 142.5
[M]- 160.94818 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe