CID 5469030

Nsc681954

Structural Information

Molecular Formula
C10H9F3N2O2S
SMILES
CO/N=C\1/CC(C2=C1SC=C2)NC(=O)C(F)(F)F
InChI
InChI=1S/C10H9F3N2O2S/c1-17-15-7-4-6(5-2-3-18-8(5)7)14-9(16)10(11,12)13/h2-3,6H,4H2,1H3,(H,14,16)/b15-7-
InChIKey
CUWNZTWJLCDXCB-CHHVJCJISA-N
Compound name
2,2,2-trifluoro-N-[(6Z)-6-methoxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0337 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04098 156.1
[M+Na]+ 301.02292 164.7
[M-H]- 277.02642 158.6
[M+NH4]+ 296.06752 177.6
[M+K]+ 316.99686 162.3
[M+H-H2O]+ 261.03096 148.7
[M+HCOO]- 323.03190 173.6
[M+CH3COO]- 337.04755 200.4
[M+Na-2H]- 299.00837 156.9
[M]+ 278.03315 155.9
[M]- 278.03425 155.9
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.