CID 240724

(4-chlorophenyl)(pyridin-3-yl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

219.04509 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.052366 144.3
[M+Na]+ 242.034308 152.8
[M-H]- 218.037814 148.3
[M+NH4]+ 237.078913 161.3
[M+K]+ 258.008248 147.5
[M+H-H2O]+ 202.042350 137.5
[M+HCOO]- 264.043291 161.2
[M+CH3COO]- 278.058941 156.8
[M+Na-2H]- 240.019756 150.8
[M]+ 219.04454142 144.7
[M]- 219.04563858 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

No literature data available for this compound.

Patent stripe

patents stripe