CID 72213891

Methyl 2-chloro-6-formylisonicotinate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

199.00362 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01090 134.5
[M+Na]+ 221.99284 145.3
[M-H]- 197.99634 137.6
[M+NH4]+ 217.03744 153.8
[M+K]+ 237.96678 142.5
[M+H-H2O]+ 182.00088 129.2
[M+HCOO]- 244.00182 153.7
[M+CH3COO]- 258.01747 181.6
[M+Na-2H]- 219.97829 140.5
[M]+ 199.00307 139.6
[M]- 199.00417 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe