CID 53418347

1060804-23-0

Structural Information

Molecular Formula
C6H5ClN2O
SMILES
C1=C(C(=CN=C1Cl)N)C=O
InChI
InChI=1S/C6H5ClN2O/c7-6-1-4(3-10)5(8)2-9-6/h1-3H,8H2
InChIKey
KDFYRFSJTMGUEL-UHFFFAOYSA-N
Compound name
5-amino-2-chloropyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

156.00903 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.01631 126.8
[M+Na]+ 178.99825 137.6
[M-H]- 155.00175 129.3
[M+NH4]+ 174.04285 147.2
[M+K]+ 194.97219 133.8
[M+H-H2O]+ 139.00629 121.6
[M+HCOO]- 201.00723 147.3
[M+CH3COO]- 215.02288 176.2
[M+Na-2H]- 176.98370 134.0
[M]+ 156.00848 127.7
[M]- 156.00958 127.7
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