CID 2200760

2-(perfluorobenzamido)-5,6-dihydro-4h-cyclopenta[b]thiophene-3-carboxamide

Structural Information

Molecular Formula
C15H9F5N2O2S
SMILES
C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F
InChI
InChI=1S/C15H9F5N2O2S/c16-8-7(9(17)11(19)12(20)10(8)18)14(24)22-15-6(13(21)23)4-2-1-3-5(4)25-15/h1-3H2,(H2,21,23)(H,22,24)
InChIKey
GXYWZUSOHMGAEX-UHFFFAOYSA-N
Compound name
2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.0305 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.03778 176.4
[M+Na]+ 399.01972 187.2
[M-H]- 375.02322 178.7
[M+NH4]+ 394.06432 193.4
[M+K]+ 414.99366 181.0
[M+H-H2O]+ 359.02776 167.2
[M+HCOO]- 421.02870 189.8
[M+CH3COO]- 435.04435 221.6
[M+Na-2H]- 397.00517 169.6
[M]+ 376.02995 173.0
[M]- 376.03105 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.