CID 5954557

Nsc406636

Structural Information

Molecular Formula
C18H11ClN2O
SMILES
C1=CC=C2/C(=N/O)/C=C/C(=C(\C#N)/C3=CC=C(C=C3)Cl)/C2=C1
InChI
InChI=1S/C18H11ClN2O/c19-13-7-5-12(6-8-13)17(11-20)15-9-10-18(21-22)16-4-2-1-3-14(15)16/h1-10,22H/b17-15-,21-18+
InChIKey
DGDRKPDZPJGAOV-GMTUMFJYSA-N
Compound name
(2E)-2-(4-chlorophenyl)-2-[(4E)-4-hydroxyiminonaphthalen-1-ylidene]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.056 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06328 177.8
[M+Na]+ 329.04522 189.1
[M-H]- 305.04872 183.5
[M+NH4]+ 324.08982 192.4
[M+K]+ 345.01916 178.8
[M+H-H2O]+ 289.05326 164.5
[M+HCOO]- 351.05420 191.9
[M+CH3COO]- 365.06985 187.3
[M+Na-2H]- 327.03067 181.0
[M]+ 306.05545 172.3
[M]- 306.05655 172.3
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.