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

17
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 128.9
[M+Na]+ 190.00302 140.0
[M-H]- 166.00652 131.7
[M+NH4]+ 185.04762 149.5
[M+K]+ 205.97696 135.7
[M+H-H2O]+ 150.01106 123.8
[M+HCOO]- 212.01200 148.6
[M+CH3COO]- 226.02765 177.3
[M+Na-2H]- 187.98847 136.0
[M]+ 167.01325 131.7
[M]- 167.01435 131.7
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