CID 388527

Nsc683511

Structural Information

Molecular Formula
C15H8ClNOS
SMILES
C1=CN2C(=C1)C(=O)C3=C2C=C(S3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C15H8ClNOS/c16-10-5-3-9(4-6-10)13-8-12-15(19-13)14(18)11-2-1-7-17(11)12/h1-8H
InChIKey
HMGYGPIKYMCWGW-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)thieno[2,3-b]pyrrolizin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.00153 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00881 166.6
[M+Na]+ 307.99075 182.1
[M-H]- 283.99425 176.9
[M+NH4]+ 303.03535 191.1
[M+K]+ 323.96469 175.8
[M+H-H2O]+ 267.99879 162.8
[M+HCOO]- 329.99973 184.0
[M+CH3COO]- 344.01538 181.6
[M+Na-2H]- 305.97620 166.0
[M]+ 285.00098 175.7
[M]- 285.00208 175.7
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.