CID 3651372

3-(5-chlorothiophen-2-yl)isoxazol-5-amine

Structural Information

Molecular Formula
C7H5ClN2OS
SMILES
C1=C(SC(=C1)Cl)C2=NOC(=C2)N
InChI
InChI=1S/C7H5ClN2OS/c8-6-2-1-5(12-6)4-3-7(9)11-10-4/h1-3H,9H2
InChIKey
GEMHTXKUGCNPMG-UHFFFAOYSA-N
Compound name
3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-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]+ 200.988386 138.1
[M+Na]+ 222.970328 151.1
[M-H]- 198.973834 145.7
[M+NH4]+ 218.014933 159.8
[M+K]+ 238.944268 147.7
[M+H-H2O]+ 182.978370 133.2
[M+HCOO]- 244.979311 156.5
[M+CH3COO]- 258.994961 153.5
[M+Na-2H]- 220.955776 140.4
[M]+ 199.98056142 143.5
[M]- 199.98165858 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.