CID 43144919

3-[2-(chloromethyl)phenoxy]pyridine hydrochloride

Structural Information

Molecular Formula
C12H10ClNO
SMILES
C1=CC=C(C(=C1)CCl)OC2=CN=CC=C2
InChI
InChI=1S/C12H10ClNO/c13-8-10-4-1-2-6-12(10)15-11-5-3-7-14-9-11/h1-7,9H,8H2
InChIKey
ZIPMORDWBGJENS-UHFFFAOYSA-N
Compound name
3-[2-(chloromethyl)phenoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.04509 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05237 144.2
[M+Na]+ 242.03431 153.4
[M-H]- 218.03781 149.4
[M+NH4]+ 237.07891 162.0
[M+K]+ 258.00825 148.5
[M+H-H2O]+ 202.04235 136.8
[M+HCOO]- 264.04329 163.5
[M+CH3COO]- 278.05894 157.4
[M+Na-2H]- 240.01976 152.2
[M]+ 219.04454 146.9
[M]- 219.04564 146.9
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.