CID 9574247

2clphcon2 prope

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
C=C/C=N/NC(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C10H9ClN2O/c1-2-7-12-13-10(14)8-5-3-4-6-9(8)11/h2-7H,1H2,(H,13,14)/b12-7+
InChIKey
SHUFENWZHTVGEC-KPKJPENVSA-N
Compound name
2-chloro-N-[(E)-prop-2-enylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04034 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 143.7
[M+Na]+ 231.02956 151.9
[M-H]- 207.03306 148.7
[M+NH4]+ 226.07416 163.6
[M+K]+ 247.00350 147.6
[M+H-H2O]+ 191.03760 138.1
[M+HCOO]- 253.03854 166.8
[M+CH3COO]- 267.05419 190.5
[M+Na-2H]- 229.01501 149.9
[M]+ 208.03979 145.3
[M]- 208.04089 145.3
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.