CID 9571541

Nsc681955

Structural Information

Molecular Formula
C10H9F3N2O3S
SMILES
CO/N=C\1/C(C(C2=C1SC=C2)NC(=O)C(F)(F)F)O
InChI
InChI=1S/C10H9F3N2O3S/c1-18-15-6-7(16)5(4-2-3-19-8(4)6)14-9(17)10(11,12)13/h2-3,5,7,16H,1H3,(H,14,17)/b15-6-
InChIKey
AIOAAHDGQGMRHM-UUASQNMZSA-N
Compound name
2,2,2-trifluoro-N-[(6Z)-5-hydroxy-6-methoxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0286 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.03588 158.3
[M+Na]+ 317.01782 167.1
[M-H]- 293.02132 159.7
[M+NH4]+ 312.06242 178.6
[M+K]+ 332.99176 164.3
[M+H-H2O]+ 277.02586 151.5
[M+HCOO]- 339.02680 174.5
[M+CH3COO]- 353.04245 201.3
[M+Na-2H]- 315.00327 158.7
[M]+ 294.02805 158.1
[M]- 294.02915 158.1
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.