CID 58001725

1198016-70-4

Structural Information

Molecular Formula
C8H6ClNO
SMILES
C=CC1=C(C=C(C=N1)C=O)Cl
InChI
InChI=1S/C8H6ClNO/c1-2-8-7(9)3-6(5-11)4-10-8/h2-5H,1H2
InChIKey
YXTUDCPPCHMNGI-UHFFFAOYSA-N
Compound name
5-chloro-6-ethenylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

167.0138 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02108 130.4
[M+Na]+ 190.00302 145.6
[M+NH4]+ 185.04762 139.1
[M+K]+ 205.97696 137.8
[M-H]- 166.00652 132.1
[M+Na-2H]- 187.98847 138.1
[M]+ 167.01325 133.3
[M]- 167.01435 133.3
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