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]+ 223.063256 148.6
[M+Na]+ 245.045198 156.4
[M-H]- 221.048704 153.5
[M+NH4]+ 240.089803 168.1
[M+K]+ 261.019138 152.0
[M+H-H2O]+ 205.053240 142.8
[M+HCOO]- 267.054181 171.4
[M+CH3COO]- 281.069831 192.9
[M+Na-2H]- 243.030646 154.2
[M]+ 222.05543142 150.5
[M]- 222.05652858 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.