CID 59208497

6-chloro-4-formylnicotinic acid

Structural Information

Molecular Formula

C₇H₄ClNO₃

SMILES

C1=C(C(=CN=C1Cl)C(=O)O)C=O

InChI

InChI=1S/C7H4ClNO3/c8-6-1-4(3-10)5(2-9-6)7(11)12/h1-3H,(H,11,12)

InChIKey

WFHBMNIKNOOHOP-UHFFFAOYSA-N

Compound name

6-chloro-4-formylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 184.98798 Da
Monoisotopic Mass: 0.8
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]+	185.99526	132.4
[M+Na]+	207.97720	145.9
[M+NH4]+	203.02180	139.6
[M+K]+	223.95114	140.6
[M-H]-	183.98070	132.4
[M+Na-2H]-	205.96265	138.4
[M]+	184.98743	134.4
[M]-	184.98853	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe