CID 391054

Nsc689594

Structural Information

Molecular Formula
C7H5Cl2NOS
SMILES
C1C(C2=C(C1=O)C(=C(S2)Cl)Cl)N
InChI
InChI=1S/C7H5Cl2NOS/c8-5-4-3(11)1-2(10)6(4)12-7(5)9/h2H,1,10H2
InChIKey
JYVIFCPTXRVVQK-UHFFFAOYSA-N
Compound name
6-amino-2,3-dichloro-5,6-dihydrocyclopenta[b]thiophen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.94688 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.95416 146.7
[M+Na]+ 243.93610 159.5
[M-H]- 219.93960 151.7
[M+NH4]+ 238.98070 171.7
[M+K]+ 259.91004 153.6
[M+H-H2O]+ 203.94414 144.8
[M+HCOO]- 265.94508 157.5
[M+CH3COO]- 279.96073 160.8
[M+Na-2H]- 241.92155 145.4
[M]+ 220.94633 150.4
[M]- 220.94743 150.4
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.