CID 9574251

2clphcon2 fural

Structural Information

Molecular Formula
C12H9ClN2O2
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=CO2)Cl
InChI
InChI=1S/C12H9ClN2O2/c13-11-6-2-1-5-10(11)12(16)15-14-8-9-4-3-7-17-9/h1-8H,(H,15,16)/b14-8+
InChIKey
AMKDUKDXZJVUOL-RIYZIHGNSA-N
Compound name
2-chloro-N-[(E)-furan-2-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.03525 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04253 154.9
[M+Na]+ 271.02447 163.1
[M-H]- 247.02797 163.8
[M+NH4]+ 266.06907 173.3
[M+K]+ 286.99841 159.9
[M+H-H2O]+ 231.03251 148.1
[M+HCOO]- 293.03345 178.5
[M+CH3COO]- 307.04910 195.1
[M+Na-2H]- 269.00992 160.9
[M]+ 248.03470 158.3
[M]- 248.03580 158.3
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.