CID 9604791

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

Structural Information

Molecular Formula
C15H9ClN4O
SMILES
C1=CC=C2C(=C1)N=C(O2)/C(=N/NC3=CC=C(C=C3)Cl)/C#N
InChI
InChI=1S/C15H9ClN4O/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
GQLZGERRYKMOPU-DEDYPNTBSA-N
Compound name
(2E)-N-(4-chloroanilino)-1,3-benzoxazole-2-carboximidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.04648 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.05376 172.5
[M+Na]+ 319.03570 184.6
[M-H]- 295.03920 178.5
[M+NH4]+ 314.08030 186.5
[M+K]+ 335.00964 177.3
[M+H-H2O]+ 279.04374 157.2
[M+HCOO]- 341.04468 190.3
[M+CH3COO]- 355.06033 183.0
[M+Na-2H]- 317.02115 178.3
[M]+ 296.04593 171.3
[M]- 296.04703 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.