CID 65813773

1267318-33-1

Structural Information

Molecular Formula
C7H5ClN2OS
SMILES
C1=C(SC(=C1)Cl)C2=CC(=NO2)N
InChI
InChI=1S/C7H5ClN2OS/c8-6-2-1-5(12-6)4-3-7(9)10-11-4/h1-3H,(H2,9,10)
InChIKey
AKHRFZWPCZSEBV-UHFFFAOYSA-N
Compound name
5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.98111 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.98839 138.1
[M+Na]+ 222.97033 151.1
[M-H]- 198.97383 145.7
[M+NH4]+ 218.01493 159.8
[M+K]+ 238.94427 147.7
[M+H-H2O]+ 182.97837 133.2
[M+HCOO]- 244.97931 156.5
[M+CH3COO]- 258.99496 153.5
[M+Na-2H]- 220.95578 140.4
[M]+ 199.98056 143.5
[M]- 199.98166 143.5
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.