CID 5818107

Nsc681946

Structural Information

Molecular Formula
C9H7F3N2O3S
SMILES
C1=CSC\2=C1C(C(/C2=N/O)O)NC(=O)C(F)(F)F
InChI
InChI=1S/C9H7F3N2O3S/c10-9(11,12)8(16)13-4-3-1-2-18-7(3)5(14-17)6(4)15/h1-2,4,6,15,17H,(H,13,16)/b14-5-
InChIKey
XXPSPOTXMUYWET-RZNTYIFUSA-N
Compound name
2,2,2-trifluoro-N-[(6Z)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.01294 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02022 153.5
[M+Na]+ 303.00216 162.2
[M-H]- 279.00566 153.6
[M+NH4]+ 298.04676 173.5
[M+K]+ 318.97610 158.8
[M+H-H2O]+ 263.01020 147.0
[M+HCOO]- 325.01114 168.4
[M+CH3COO]- 339.02679 196.0
[M+Na-2H]- 300.98761 154.0
[M]+ 280.01239 151.0
[M]- 280.01349 151.0
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.