CID 84650983

5-tert-butyl-3-chloro-1,2-oxazole

Structural Information

Molecular Formula
C7H10ClNO
SMILES
CC(C)(C)C1=CC(=NO1)Cl
InChI
InChI=1S/C7H10ClNO/c1-7(2,3)5-4-6(8)9-10-5/h4H,1-3H3
InChIKey
WCPFUBDCGNHGNE-UHFFFAOYSA-N
Compound name
5-tert-butyl-3-chloro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

159.04509 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.052366 131.1
[M+Na]+ 182.034308 141.5
[M-H]- 158.037814 134.5
[M+NH4]+ 177.078913 152.6
[M+K]+ 198.008248 140.1
[M+H-H2O]+ 142.042350 126.6
[M+HCOO]- 204.043291 148.7
[M+CH3COO]- 218.058941 174.7
[M+Na-2H]- 180.019756 138.4
[M]+ 159.04454142 135.0
[M]- 159.04563858 135.0
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