CID 3550849

Dtxsid701039960

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]+ 403.02901 190.4
[M+Na]+ 425.01095 196.3
[M-H]- 401.01445 195.9
[M+NH4]+ 420.05555 202.6
[M+K]+ 440.98489 190.2
[M+H-H2O]+ 385.01899 182.6
[M+HCOO]- 447.01993 202.0
[M+CH3COO]- 461.03558 228.9
[M+Na-2H]- 422.99640 194.2
[M]+ 402.02118 193.1
[M]- 402.02228 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.