CID 3061982

80100-27-2

Structural Information

Molecular Formula

C₁₂H₈Cl₃NO

SMILES

C1=CC(=C(N=C1)Cl)C(C2=C(C=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C12H8Cl3NO/c13-7-3-4-8(10(14)6-7)11(17)9-2-1-5-16-12(9)15/h1-6,11,17H

InChIKey

CYHZWNMBLCYKNZ-UHFFFAOYSA-N

Compound name

(2-chloropyridin-3-yl)-(2,4-dichlorophenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 286.96713 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.97441	154.0
[M+Na]+	309.95635	164.4
[M-H]-	285.95985	156.5
[M+NH4]+	305.00095	169.2
[M+K]+	325.93029	157.4
[M+H-H2O]+	269.96439	148.6
[M+HCOO]-	331.96533	160.2
[M+CH3COO]-	345.98098	165.2
[M+Na-2H]-	307.94180	157.2
[M]+	286.96658	156.5
[M]-	286.96768	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe