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

9
Patents

156.00903 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.016306 126.8
[M+Na]+ 178.998248 137.6
[M-H]- 155.001754 129.3
[M+NH4]+ 174.042853 147.2
[M+K]+ 194.972188 133.8
[M+H-H2O]+ 139.006290 121.6
[M+HCOO]- 201.007231 147.3
[M+CH3COO]- 215.022881 176.2
[M+Na-2H]- 176.983696 134.0
[M]+ 156.00848142 127.7
[M]- 156.00957858 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