CID 71757224

4-(chloromethyl)-5-(thiophen-2-yl)-1,2-oxazole

Structural Information

Molecular Formula
C8H6ClNOS
SMILES
C1=CSC(=C1)C2=C(C=NO2)CCl
InChI
InChI=1S/C8H6ClNOS/c9-4-6-5-10-11-8(6)7-2-1-3-12-7/h1-3,5H,4H2
InChIKey
BKQCXZXYOIAWGV-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-5-thiophen-2-yl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.98586 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.99314 138.0
[M+Na]+ 221.97508 150.8
[M-H]- 197.97858 145.8
[M+NH4]+ 217.01968 160.2
[M+K]+ 237.94902 147.9
[M+H-H2O]+ 181.98312 133.2
[M+HCOO]- 243.98406 155.9
[M+CH3COO]- 257.99971 153.6
[M+Na-2H]- 219.96053 140.9
[M]+ 198.98531 145.1
[M]- 198.98641 145.1
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.