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]+ 209.047616 143.7
[M+Na]+ 231.029558 151.9
[M-H]- 207.033064 148.7
[M+NH4]+ 226.074163 163.6
[M+K]+ 247.003498 147.6
[M+H-H2O]+ 191.037600 138.1
[M+HCOO]- 253.038541 166.8
[M+CH3COO]- 267.054191 190.5
[M+Na-2H]- 229.015006 149.9
[M]+ 208.03979142 145.3
[M]- 208.04088858 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.