CID 5333054

82973-09-9

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C14H11ClN2O/c15-13-9-5-4-8-12(13)14(18)17-16-10-11-6-2-1-3-7-11/h1-10H,(H,17,18)/b16-10+
InChIKey
PIEWRITYFYVJPO-MHWRWJLKSA-N
Compound name
N-[(E)-benzylideneamino]-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.056 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06328 156.8
[M+Na]+ 281.04522 164.3
[M-H]- 257.04872 164.6
[M+NH4]+ 276.08982 174.3
[M+K]+ 297.01916 159.1
[M+H-H2O]+ 241.05326 149.4
[M+HCOO]- 303.05420 179.8
[M+CH3COO]- 317.06985 199.1
[M+Na-2H]- 279.03067 163.5
[M]+ 258.05545 158.2
[M]- 258.05655 158.2
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.