CID 487036

Butanamide, n-[3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-2,2,3,3,4,4,4-heptafluoro-

Structural Information

Molecular Formula
C14H7ClF7NO3S2
SMILES
C1=CC(=CC=C1S(=O)(=O)C2=C(SC=C2)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C14H7ClF7NO3S2/c15-7-1-3-8(4-2-7)28(25,26)9-5-6-27-10(9)23-11(24)12(16,17)13(18,19)14(20,21)22/h1-6H,(H,23,24)
InChIKey
BHTQXQHFHOLQEQ-UHFFFAOYSA-N
Compound name
N-[3-(4-chlorophenyl)sulfonylthiophen-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

468.9444 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.95168 188.7
[M+Na]+ 491.93362 197.9
[M-H]- 467.93712 186.9
[M+NH4]+ 486.97822 199.5
[M+K]+ 507.90756 190.5
[M+H-H2O]+ 451.94166 178.0
[M+HCOO]- 513.94260 187.0
[M+CH3COO]- 527.95825 224.3
[M+Na-2H]- 489.91907 189.7
[M]+ 468.94385 185.4
[M]- 468.94495 185.4
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.