CID 19995970

2045276-63-7

Structural Information

Molecular Formula

C₈H₆ClNO₂

SMILES

C1=CN=C(C=C1/C=C/C(=O)O)Cl

InChI

InChI=1S/C8H6ClNO2/c9-7-5-6(3-4-10-7)1-2-8(11)12/h1-5H,(H,11,12)/b2-1+

InChIKey

VWOAJEKVHQVOOQ-OWOJBTEDSA-N

Compound name

(E)-3-(2-chloropyridin-4-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 183.00871 Da
Monoisotopic Mass: 1.8
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]+	184.01599	134.5
[M+Na]+	205.99793	147.9
[M+NH4]+	201.04253	142.2
[M+K]+	221.97187	141.6
[M-H]-	182.00143	134.9
[M+Na-2H]-	203.98338	140.9
[M]+	183.00816	136.6
[M]-	183.00926	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe