CID 86063763

2-chloro-5-(thiophen-2-yl)-1,3-oxazole

Structural Information

Molecular Formula
C7H4ClNOS
SMILES
C1=CSC(=C1)C2=CN=C(O2)Cl
InChI
InChI=1S/C7H4ClNOS/c8-7-9-4-5(10-7)6-2-1-3-11-6/h1-4H
InChIKey
QWBHNCSFPHLWIF-UHFFFAOYSA-N
Compound name
2-chloro-5-thiophen-2-yl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.97021 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.977486 133.4
[M+Na]+ 207.959428 146.6
[M-H]- 183.962934 141.3
[M+NH4]+ 203.004033 156.1
[M+K]+ 223.933368 144.0
[M+H-H2O]+ 167.967470 128.8
[M+HCOO]- 229.968411 151.6
[M+CH3COO]- 243.984061 149.4
[M+Na-2H]- 205.944876 136.8
[M]+ 184.96966142 140.2
[M]- 184.97075858 140.2
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

No patent data available for this compound.