CID 15959325

N-[3-(4-chlorophenyl)sulfonyl-4,5-dimethyl-2-furyl]-2,2,2-trifluoro-acetamide

Structural Information

Molecular Formula
C14H11ClF3NO4S
SMILES
CC1=C(OC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C(F)(F)F)C
InChI
InChI=1S/C14H11ClF3NO4S/c1-7-8(2)23-12(19-13(20)14(16,17)18)11(7)24(21,22)10-5-3-9(15)4-6-10/h3-6H,1-2H3,(H,19,20)
InChIKey
KCJGDHKCSWINCR-UHFFFAOYSA-N
Compound name
N-[3-(4-chlorophenyl)sulfonyl-4,5-dimethylfuran-2-yl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.00494 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.01222 178.2
[M+Na]+ 403.99416 189.2
[M-H]- 379.99766 183.3
[M+NH4]+ 399.03876 192.2
[M+K]+ 419.96810 184.7
[M+H-H2O]+ 364.00220 171.0
[M+HCOO]- 426.00314 188.0
[M+CH3COO]- 440.01879 213.4
[M+Na-2H]- 401.97961 179.0
[M]+ 381.00439 182.5
[M]- 381.00549 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.