CID 9574253

2clphcon2 cinna

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C16H13ClN2O/c17-15-11-5-4-10-14(15)16(20)19-18-12-6-9-13-7-2-1-3-8-13/h1-12H,(H,19,20)/b9-6+,18-12+
InChIKey
LZFHPRXQXDTUDW-PXYULHTISA-N
Compound name
2-chloro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07166 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07894 165.4
[M+Na]+ 307.06088 172.4
[M-H]- 283.06438 172.9
[M+NH4]+ 302.10548 181.8
[M+K]+ 323.03482 166.1
[M+H-H2O]+ 267.06892 157.7
[M+HCOO]- 329.06986 187.9
[M+CH3COO]- 343.08551 203.6
[M+Na-2H]- 305.04633 171.0
[M]+ 284.07111 166.7
[M]- 284.07221 166.7
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.