CID 25220789

3-(chloromethyl)-5-cyclopropylisoxazole

Structural Information

Molecular Formula
C7H8ClNO
SMILES
C1CC1C2=CC(=NO2)CCl
InChI
InChI=1S/C7H8ClNO/c8-4-6-3-7(10-9-6)5-1-2-5/h3,5H,1-2,4H2
InChIKey
OISWOVQSPFYQKZ-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-cyclopropyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

157.02943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 129.7
[M+Na]+ 180.01865 144.5
[M+NH4]+ 175.06325 139.6
[M+K]+ 195.99259 141.0
[M-H]- 156.02215 140.3
[M+Na-2H]- 178.00410 139.2
[M]+ 157.02888 136.2
[M]- 157.02998 136.2
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