CID 12049986

138716-44-6

Structural Information

Molecular Formula
C7H5NOS
SMILES
C1=CSC(=C1)C2=CC=NO2
InChI
InChI=1S/C7H5NOS/c1-2-7(10-5-1)6-3-4-8-9-6/h1-5H
InChIKey
KNRAAHWCKJMGNF-UHFFFAOYSA-N
Compound name
5-thiophen-2-yl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

151.00919 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.01647 125.3
[M+Na]+ 173.99841 137.2
[M-H]- 150.00191 133.1
[M+NH4]+ 169.04301 148.4
[M+K]+ 189.97235 136.4
[M+H-H2O]+ 134.00645 120.2
[M+HCOO]- 196.00739 148.4
[M+CH3COO]- 210.02304 141.6
[M+Na-2H]- 171.98386 130.1
[M]+ 151.00864 130.1
[M]- 151.00974 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe