CID 12475721

3-chloro-1,2-oxazole

Structural Information

Molecular Formula
C3H2ClNO
SMILES
C1=CON=C1Cl
InChI
InChI=1S/C3H2ClNO/c4-3-1-2-6-5-3/h1-2H
InChIKey
AJRGDQWFWJDYDP-UHFFFAOYSA-N
Compound name
3-chloro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

343
Patents

102.98249 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.989766 112.0
[M+Na]+ 125.971708 122.6
[M-H]- 101.975214 115.2
[M+NH4]+ 121.016313 135.1
[M+K]+ 141.945648 121.9
[M+H-H2O]+ 85.979750 107.3
[M+HCOO]- 147.980691 132.5
[M+CH3COO]- 161.996341 161.9
[M+Na-2H]- 123.957156 121.5
[M]+ 102.98194142 114.6
[M]- 102.98303858 114.6
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