CID 121514185

4-(2-chloroethyl)-1,2-oxazole

Structural Information

Molecular Formula
C5H6ClNO
SMILES
C1=C(C=NO1)CCCl
InChI
InChI=1S/C5H6ClNO/c6-2-1-5-3-7-8-4-5/h3-4H,1-2H2
InChIKey
KYHPVMNMLXQGEO-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.0138 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.021076 121.6
[M+Na]+ 154.003018 131.4
[M-H]- 130.006524 124.4
[M+NH4]+ 149.047623 143.6
[M+K]+ 169.976958 130.2
[M+H-H2O]+ 114.011060 116.5
[M+HCOO]- 176.012001 141.4
[M+CH3COO]- 190.027651 167.9
[M+Na-2H]- 151.988466 129.9
[M]+ 131.01325142 124.9
[M]- 131.01434858 124.9
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

No patent data available for this compound.