CID 255613

4-acetamido-2,6-difluoro-4'-nitroazobenzene

Structural Information

Molecular Formula
C14H10F2N4O3
SMILES
CC(=O)NC1=CC(=C(C(=C1)F)N=NC2=CC=C(C=C2)[N+](=O)[O-])F
InChI
InChI=1S/C14H10F2N4O3/c1-8(21)17-10-6-12(15)14(13(16)7-10)19-18-9-2-4-11(5-3-9)20(22)23/h2-7H,1H3,(H,17,21)
InChIKey
ICGRNBQHIVMSMS-UHFFFAOYSA-N
Compound name
N-[3,5-difluoro-4-[(4-nitrophenyl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.07208 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07936 166.3
[M+Na]+ 343.06130 173.3
[M-H]- 319.06480 173.6
[M+NH4]+ 338.10590 180.0
[M+K]+ 359.03524 166.5
[M+H-H2O]+ 303.06934 159.9
[M+HCOO]- 365.07028 194.8
[M+CH3COO]- 379.08593 213.0
[M+Na-2H]- 341.04675 172.4
[M]+ 320.07153 164.2
[M]- 320.07263 164.2
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.