CID 2774306

2-phenoxypyridine-3-carbonyl chloride

Structural Information

Molecular Formula
C12H8ClNO2
SMILES
C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)Cl
InChI
InChI=1S/C12H8ClNO2/c13-11(15)10-7-4-8-14-12(10)16-9-5-2-1-3-6-9/h1-8H
InChIKey
ILBAQNFTHRLAEH-UHFFFAOYSA-N
Compound name
2-phenoxypyridine-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

233.02435 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03163 146.1
[M+Na]+ 256.01357 155.2
[M-H]- 232.01707 151.5
[M+NH4]+ 251.05817 163.1
[M+K]+ 271.98751 150.8
[M+H-H2O]+ 216.02161 138.7
[M+HCOO]- 278.02255 164.9
[M+CH3COO]- 292.03820 187.6
[M+Na-2H]- 253.99902 153.0
[M]+ 233.02380 149.0
[M]- 233.02490 149.0
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