CID 4655983

2-fluoro-n-{2,2,2-trichloro-1-[3-(trifluoromethyl)anilino]ethyl}acetamide

Structural Information

Molecular Formula
C11H9Cl3F4N2O
SMILES
C1=CC(=CC(=C1)NC(C(Cl)(Cl)Cl)NC(=O)CF)C(F)(F)F
InChI
InChI=1S/C11H9Cl3F4N2O/c12-10(13,14)9(20-8(21)5-15)19-7-3-1-2-6(4-7)11(16,17)18/h1-4,9,19H,5H2,(H,20,21)
InChIKey
NQVXJSKTAQXBQQ-UHFFFAOYSA-N
Compound name
2-fluoro-N-[2,2,2-trichloro-1-[3-(trifluoromethyl)anilino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.97165 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.97893 168.3
[M+Na]+ 388.96087 176.1
[M-H]- 364.96437 165.3
[M+NH4]+ 384.00547 181.7
[M+K]+ 404.93481 169.3
[M+H-H2O]+ 348.96891 161.4
[M+HCOO]- 410.96985 170.9
[M+CH3COO]- 424.98550 213.5
[M+Na-2H]- 386.94632 170.2
[M]+ 365.97110 165.5
[M]- 365.97220 165.5
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.