CID 112757123

Methyl 4-chloro-2-formylpyridine-3-carboxylate

Structural Information

Molecular Formula
C8H6ClNO3
SMILES
COC(=O)C1=C(C=CN=C1C=O)Cl
InChI
InChI=1S/C8H6ClNO3/c1-13-8(12)7-5(9)2-3-10-6(7)4-11/h2-4H,1H3
InChIKey
GCBTXOUMQADXNR-UHFFFAOYSA-N
Compound name
methyl 4-chloro-2-formylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.00362 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01090 136.4
[M+Na]+ 221.99284 150.2
[M+NH4]+ 217.03744 143.8
[M+K]+ 237.96678 144.4
[M-H]- 197.99634 136.9
[M+Na-2H]- 219.97829 142.7
[M]+ 199.00307 138.6
[M]- 199.00417 138.6
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.