CID 3074576

2-((3-chloro-4-fluorophenyl)azo)-2-cyanoacetamide

Structural Information

Molecular Formula
C9H6ClFN4O
SMILES
C1=CC(=C(C=C1N=NC(C#N)C(=O)N)Cl)F
InChI
InChI=1S/C9H6ClFN4O/c10-6-3-5(1-2-7(6)11)14-15-8(4-12)9(13)16/h1-3,8H,(H2,13,16)
InChIKey
XDXCCCLJIHCNIL-UHFFFAOYSA-N
Compound name
2-[(3-chloro-4-fluorophenyl)diazenyl]-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.02142 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02870 152.7
[M+Na]+ 263.01064 162.5
[M-H]- 239.01414 156.5
[M+NH4]+ 258.05524 169.1
[M+K]+ 278.98458 159.4
[M+H-H2O]+ 223.01868 139.1
[M+HCOO]- 285.01962 171.7
[M+CH3COO]- 299.03527 212.1
[M+Na-2H]- 260.99609 155.7
[M]+ 240.02087 148.0
[M]- 240.02197 148.0
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

patents stripe