CID 101406065

176433-65-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

199.00362 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.010896 134.5
[M+Na]+ 221.992838 145.3
[M-H]- 197.996344 137.6
[M+NH4]+ 217.037443 153.8
[M+K]+ 237.966778 142.5
[M+H-H2O]+ 182.000880 129.2
[M+HCOO]- 244.001821 153.7
[M+CH3COO]- 258.017471 181.6
[M+Na-2H]- 219.978286 140.5
[M]+ 199.00307142 139.6
[M]- 199.00416858 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

No literature data available for this compound.

Patent stripe

patents stripe