CID 66603519

3-[4-(trifluoromethyl)benzoyl]-4h,5h,6h-cyclopenta[b]thiophen-2-amine

Structural Information

Molecular Formula
C15H12F3NOS
SMILES
C1CC2=C(C1)SC(=C2C(=O)C3=CC=C(C=C3)C(F)(F)F)N
InChI
InChI=1S/C15H12F3NOS/c16-15(17,18)9-6-4-8(5-7-9)13(20)12-10-2-1-3-11(10)21-14(12)19/h4-7H,1-3,19H2
InChIKey
AJFYMPPLANPKJE-UHFFFAOYSA-N
Compound name
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

311.05917 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.06645 167.3
[M+Na]+ 334.04839 176.6
[M-H]- 310.05189 171.5
[M+NH4]+ 329.09299 187.0
[M+K]+ 350.02233 171.3
[M+H-H2O]+ 294.05643 160.0
[M+HCOO]- 356.05737 181.5
[M+CH3COO]- 370.07302 204.2
[M+Na-2H]- 332.03384 164.9
[M]+ 311.05862 164.6
[M]- 311.05972 164.6
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

patents stripe