CID 70700634

2-chloro-3-formylisonicotinic acid

Structural Information

Molecular Formula
C7H4ClNO3
SMILES
C1=CN=C(C(=C1C(=O)O)C=O)Cl
InChI
InChI=1S/C7H4ClNO3/c8-6-5(3-10)4(7(11)12)1-2-9-6/h1-3H,(H,11,12)
InChIKey
QZOUCFCTUUEITK-UHFFFAOYSA-N
Compound name
2-chloro-3-formylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.98798 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

No patent data available for this compound.