CID 321014

Nsc270330

Structural Information

Molecular Formula
C12H9ClN2O
SMILES
C1=CC=C(C(=C1)C=NC2=NC=C(C=C2)Cl)O
InChI
InChI=1S/C12H9ClN2O/c13-10-5-6-12(15-8-10)14-7-9-3-1-2-4-11(9)16/h1-8,16H
InChIKey
OIKKSTQJBPWAQN-UHFFFAOYSA-N
Compound name
2-[(5-chloropyridin-2-yl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

232.04034 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04762 148.0
[M+Na]+ 255.02956 157.7
[M-H]- 231.03306 153.7
[M+NH4]+ 250.07416 165.3
[M+K]+ 271.00350 152.1
[M+H-H2O]+ 215.03760 140.7
[M+HCOO]- 277.03854 168.6
[M+CH3COO]- 291.05419 190.0
[M+Na-2H]- 253.01501 155.7
[M]+ 232.03979 149.8
[M]- 232.04089 149.8
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

patents stripe