CID 9604792

2-benzoxazoleacetonitrile, a-[(4-fluorophenyl)hydrazono]-

Structural Information

Molecular Formula
C15H9FN4O
SMILES
C1=CC=C2C(=C1)N=C(O2)/C(=N/NC3=CC=C(C=C3)F)/C#N
InChI
InChI=1S/C15H9FN4O/c16-10-5-7-11(8-6-10)19-20-13(9-17)15-18-12-3-1-2-4-14(12)21-15/h1-8,19H/b20-13+
InChIKey
CRZSBJQPFRXHPU-DEDYPNTBSA-N
Compound name
(2E)-N-(4-fluoroanilino)-1,3-benzoxazole-2-carboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.07605 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08333 165.0
[M+Na]+ 303.06527 176.1
[M-H]- 279.06877 169.9
[M+NH4]+ 298.10987 178.7
[M+K]+ 319.03921 170.2
[M+H-H2O]+ 263.07331 148.4
[M+HCOO]- 325.07425 186.1
[M+CH3COO]- 339.08990 175.5
[M+Na-2H]- 301.05072 171.1
[M]+ 280.07550 160.8
[M]- 280.07660 160.8
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.