CID 393513

Nsc695572

Structural Information

Molecular Formula
C7H6ClNOS
SMILES
C1C(C2=C(C1=O)C=C(S2)Cl)N
InChI
InChI=1S/C7H6ClNOS/c8-6-1-3-5(10)2-4(9)7(3)11-6/h1,4H,2,9H2
InChIKey
BSFAMJFYOYIDDR-UHFFFAOYSA-N
Compound name
6-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.98586 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.99314 138.1
[M+Na]+ 209.97508 150.0
[M-H]- 185.97858 143.6
[M+NH4]+ 205.01968 164.1
[M+K]+ 225.94902 145.5
[M+H-H2O]+ 169.98312 135.3
[M+HCOO]- 231.98406 154.2
[M+CH3COO]- 245.99971 153.0
[M+Na-2H]- 207.96053 138.5
[M]+ 186.98531 140.8
[M]- 186.98641 140.8
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.