CID 5396837

2phcon2 acph de

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
C/C(=N/NC(=O)C1=CC=CC=C1Cl)/C2=CC=CC=C2
InChI
InChI=1S/C15H13ClN2O/c1-11(12-7-3-2-4-8-12)17-18-15(19)13-9-5-6-10-14(13)16/h2-10H,1H3,(H,18,19)/b17-11-
InChIKey
WOSZCCJGJOVXBG-BOPFTXTBSA-N
Compound name
2-chloro-N-[(Z)-1-phenylethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.07166 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07894 161.6
[M+Na]+ 295.06088 168.4
[M-H]- 271.06438 169.4
[M+NH4]+ 290.10548 178.4
[M+K]+ 311.03482 163.5
[M+H-H2O]+ 255.06892 154.2
[M+HCOO]- 317.06986 183.3
[M+CH3COO]- 331.08551 203.0
[M+Na-2H]- 293.04633 166.6
[M]+ 272.07111 162.9
[M]- 272.07221 162.9
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.