CID 9575069

Akos003853252

Structural Information

Molecular Formula
C11H11ClN2O
SMILES
C/C=C/C=N/NC(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C11H11ClN2O/c1-2-3-8-13-14-11(15)9-6-4-5-7-10(9)12/h2-8H,1H3,(H,14,15)/b3-2+,13-8+
InChIKey
KEECGWQZCFJNTN-KFKHOQBUSA-N
Compound name
N-[(E)-[(E)-but-2-enylidene]amino]-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.05598 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06326 148.6
[M+Na]+ 245.04520 156.4
[M-H]- 221.04870 153.5
[M+NH4]+ 240.08980 168.1
[M+K]+ 261.01914 152.0
[M+H-H2O]+ 205.05324 142.8
[M+HCOO]- 267.05418 171.4
[M+CH3COO]- 281.06983 192.9
[M+Na-2H]- 243.03065 154.2
[M]+ 222.05543 150.5
[M]- 222.05653 150.5
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.