CID 44119601

1065073-37-1

Structural Information

Molecular Formula
C4H4BrNO
SMILES
C1=C(N=CO1)CBr
InChI
InChI=1S/C4H4BrNO/c5-1-4-2-7-3-6-4/h2-3H,1H2
InChIKey
QUAHYLYAIBFWNF-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
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

No literature data available for this compound.

Patent stripe

patents stripe