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

18
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 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

No literature data available for this compound.

Patent stripe

patents stripe