CID 3061980

2-chloro-alpha-phenyl-3-pyridinemethanol

Structural Information

Molecular Formula
C12H10ClNO
SMILES
C1=CC=C(C=C1)C(C2=C(N=CC=C2)Cl)O
InChI
InChI=1S/C12H10ClNO/c13-12-10(7-4-8-14-12)11(15)9-5-2-1-3-6-9/h1-8,11,15H
InChIKey
DFZYQRVGTKIAOU-UHFFFAOYSA-N
Compound name
(2-chloropyridin-3-yl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

219.04509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05237 144.3
[M+Na]+ 242.03431 152.8
[M-H]- 218.03781 148.3
[M+NH4]+ 237.07891 161.3
[M+K]+ 258.00825 147.5
[M+H-H2O]+ 202.04235 137.5
[M+HCOO]- 264.04329 161.2
[M+CH3COO]- 278.05894 156.8
[M+Na-2H]- 240.01976 150.8
[M]+ 219.04454 144.7
[M]- 219.04564 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe