CID 3550849

301195-80-2

Structural Information

Molecular Formula
C16H14Cl3FN4O
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(C(Cl)(Cl)Cl)NC(=O)CF
InChI
InChI=1S/C16H14Cl3FN4O/c17-16(18,19)15(22-14(25)10-20)21-11-6-8-13(9-7-11)24-23-12-4-2-1-3-5-12/h1-9,15,21H,10H2,(H,22,25)
InChIKey
PZUBJZYYQRARFX-UHFFFAOYSA-N
Compound name
2-fluoro-N-[2,2,2-trichloro-1-(4-phenyldiazenylanilino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.02173 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.029006 190.4
[M+Na]+ 425.010948 196.3
[M-H]- 401.014454 195.9
[M+NH4]+ 420.055553 202.6
[M+K]+ 440.984888 190.2
[M+H-H2O]+ 385.018990 182.6
[M+HCOO]- 447.019931 202.0
[M+CH3COO]- 461.035581 228.9
[M+Na-2H]- 422.996396 194.2
[M]+ 402.02118142 193.1
[M]- 402.02227858 193.1
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.