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]+ 249.042526 154.9
[M+Na]+ 271.024468 163.1
[M-H]- 247.027974 163.8
[M+NH4]+ 266.069073 173.3
[M+K]+ 286.998408 159.9
[M+H-H2O]+ 231.032510 148.1
[M+HCOO]- 293.033451 178.5
[M+CH3COO]- 307.049101 195.1
[M+Na-2H]- 269.009916 160.9
[M]+ 248.03470142 158.3
[M]- 248.03579858 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.