CID 7130599

863669-57-2

Structural Information

Molecular Formula
C8H6ClNOS
SMILES
C1=CSC(=C1)C2=CC(=NO2)CCl
InChI
InChI=1S/C8H6ClNOS/c9-5-6-4-7(11-10-6)8-2-1-3-12-8/h1-4H,5H2
InChIKey
RKWOCISPZAHSCF-UHFFFAOYSA-N
Compound name
3-(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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.99314 137.7
[M+Na]+ 221.97508 152.1
[M+NH4]+ 217.01968 147.8
[M+K]+ 237.94902 146.4
[M-H]- 197.97858 142.6
[M+Na-2H]- 219.96053 145.3
[M]+ 198.98531 142.0
[M]- 198.98641 142.0
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

No patent data available for this compound.