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]+ 168.021076 128.9
[M+Na]+ 190.003018 140.0
[M-H]- 166.006524 131.7
[M+NH4]+ 185.047623 149.5
[M+K]+ 205.976958 135.7
[M+H-H2O]+ 150.011060 123.8
[M+HCOO]- 212.012001 148.6
[M+CH3COO]- 226.027651 177.3
[M+Na-2H]- 187.988466 136.0
[M]+ 167.01325142 131.7
[M]- 167.01434858 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