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

85
Patents

219.04509 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe