CID 84648920

3-chloro-5-cyclopropyl-1,2-oxazole

Structural Information

Molecular Formula
C6H6ClNO
SMILES
C1CC1C2=CC(=NO2)Cl
InChI
InChI=1S/C6H6ClNO/c7-6-3-5(9-8-6)4-1-2-4/h3-4H,1-2H2
InChIKey
YSHLQIRSBNRNBW-UHFFFAOYSA-N
Compound name
3-chloro-5-cyclopropyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.0138 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.02108 125.8
[M+Na]+ 166.00302 140.7
[M+NH4]+ 161.04762 135.8
[M+K]+ 181.97696 137.4
[M-H]- 142.00652 136.4
[M+Na-2H]- 163.98847 135.5
[M]+ 143.01325 132.3
[M]- 143.01435 132.3
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.