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]+ 144.021076 124.9
[M+Na]+ 166.003018 136.8
[M-H]- 142.006524 131.9
[M+NH4]+ 161.047623 141.6
[M+K]+ 181.976958 134.3
[M+H-H2O]+ 126.011060 118.8
[M+HCOO]- 188.012001 144.6
[M+CH3COO]- 202.027651 139.8
[M+Na-2H]- 163.988466 132.1
[M]+ 143.01325142 129.9
[M]- 143.01434858 129.9
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.