CID 494394

Nsc622144

Structural Information

Molecular Formula
C9H5ClF3NO2S
SMILES
C1=CSC2=C1C(C(C2=O)Cl)NC(=O)C(F)(F)F
InChI
InChI=1S/C9H5ClF3NO2S/c10-4-5(14-8(16)9(11,12)13)3-1-2-17-7(3)6(4)15/h1-2,4-5H,(H,14,16)
InChIKey
FSJFWNXNDUIWQQ-UHFFFAOYSA-N
Compound name
N-(5-chloro-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.96817 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.97545 155.6
[M+Na]+ 305.95739 166.7
[M-H]- 281.96089 157.4
[M+NH4]+ 301.00199 177.7
[M+K]+ 321.93133 161.8
[M+H-H2O]+ 265.96543 150.3
[M+HCOO]- 327.96637 166.5
[M+CH3COO]- 341.98202 195.6
[M+Na-2H]- 303.94284 154.8
[M]+ 282.96762 156.4
[M]- 282.96872 156.4
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.