CID 11815443

2-chloro-5-vinyl-pyridine

Structural Information

Molecular Formula
C7H6ClN
SMILES
C=CC1=CN=C(C=C1)Cl
InChI
InChI=1S/C7H6ClN/c1-2-6-3-4-7(8)9-5-6/h2-5H,1H2
InChIKey
KIPXJMHTIVOLAO-UHFFFAOYSA-N
Compound name
2-chloro-5-ethenylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

139.01888 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.02616 122.9
[M+Na]+ 162.00810 133.2
[M-H]- 138.01160 125.4
[M+NH4]+ 157.05270 144.4
[M+K]+ 177.98204 129.3
[M+H-H2O]+ 122.01614 117.8
[M+HCOO]- 184.01708 142.4
[M+CH3COO]- 198.03273 172.1
[M+Na-2H]- 159.99355 131.3
[M]+ 139.01833 124.1
[M]- 139.01943 124.1
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