CID 11159912

4-(bromomethyl)-2-chlorooxazole

Structural Information

Molecular Formula
C4H3BrClNO
SMILES
C1=C(N=C(O1)Cl)CBr
InChI
InChI=1S/C4H3BrClNO/c5-1-3-2-8-4(6)7-3/h2H,1H2
InChIKey
LSGZUOHCHISPLI-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2-chloro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

194.90865 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.91593 127.9
[M+Na]+ 217.89787 142.5
[M-H]- 193.90137 134.0
[M+NH4]+ 212.94247 151.2
[M+K]+ 233.87181 132.3
[M+H-H2O]+ 177.90591 129.0
[M+HCOO]- 239.90685 145.8
[M+CH3COO]- 253.92250 177.0
[M+Na-2H]- 215.88332 137.1
[M]+ 194.90810 149.6
[M]- 194.90920 149.6
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