CID 388526

Nsc683510

Structural Information

Molecular Formula
C15H8FNOS
SMILES
C1=CN2C(=C1)C(=O)C3=C2C=C(S3)C4=CC=C(C=C4)F
InChI
InChI=1S/C15H8FNOS/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
OXDCADFCXJCFJG-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)thieno[2,3-b]pyrrolizin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.03107 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.03835 158.5
[M+Na]+ 292.02029 173.4
[M-H]- 268.02379 167.7
[M+NH4]+ 287.06489 182.8
[M+K]+ 307.99423 168.2
[M+H-H2O]+ 252.02833 153.7
[M+HCOO]- 314.02927 179.8
[M+CH3COO]- 328.04492 173.7
[M+Na-2H]- 290.00574 158.3
[M]+ 269.03052 164.9
[M]- 269.03162 164.9
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.